AG00FHIE

706806-59-9 | Boc-(s)-alpha-allyl-proline

AG00FHIE

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CAS Number	706806-59-9
Catalog Number	AG00FHIE(AGN-PC-0TYFFJ)
Chemical Name	Boc-(s)-alpha-allyl-proline
IUPAC Name	(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylic acid
InChI	InChI=1S/C13H21NO4/c1-5-7-13(10(15)16)8-6-9-14(13)11(17)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)/t13-/m1/s1
InChI Key	ZTMLHNDSVVOEEH-CYBMUJFWSA-N
MDL Number	MFCD06659382
Molecular Formula	C13H21NO4
Molecular Weight	255.3101
SMILES	C=CC[C@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C
Synonyms	706806-59-9, Boc-(S)-alpha-allyl-proline, (S)-2-Allyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, BOC-(S)--ALLYL-PRO-OH, (S)-2-Allyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (S)-2-Allyl-1-Boc-2-pyrrolidinecarboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylic acid, AC1OGAGI, Boc-|A-allyl-D-proline, Boc-(S)-|A-allyl-Pro-OH, Boc-(S)-alpha-allyl-Pro-OH, SCHEMBL7264298, CTK5J3282, DTXSID30428036, ZINC4241281, KM1366, MFCD06659382, AKOS016844110, AJ-49392, AK120331, PS-12639, AX8245747, Boc-(S)-alpha-allyl-Pro-OH, >=98.0%, DB-074335, (2S)-2-allyl-1-tert-butoxycarbonyl-proline, FT-0770703, A57807, (2S)-1-(tert-Butoxycarbonyl)-2-allyl-2-pyrrolidinecarboxylic acid, (2S)-2-allyl-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-prop-2-enyl-2-pyrrolidinecarboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enyl-pyrrolidine-2-carboxylic acid, BOC- --ALLYL-PRO-OH, CID7145647, (S)-2-Allyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enyl-pyrrolidine-2-carboxylic Acid,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	255.147g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.314g/mol
Monoisotopic Mass	255.147g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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