AG00FE9K

67706-68-7 | 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoic acid ethyl ester

AG00FE9K

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CAS Number	67706-68-7
Catalog Number	AG00FE9K(AGN-PC-0TPVDU)
Chemical Name	4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoic acid ethyl ester
IUPAC Name	ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate
InChI	InChI=1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChI Key	MFRFJFDLZKHOFX-UHFFFAOYSA-N
MDL Number	MFCD11616704
Molecular Formula	C11H19NO5
Molecular Weight	245.2723
SMILES	O=C(OCC)CC(CNC(OC(C)(C)C)=O)=O
Synonyms	67706-68-7, Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoate, 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoic acid ethyl ester, ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxobutanoate, ETHYL 4-[(TERT-BUTOXYCARBONYL)AMINO]-3-OXOBUTANOATE, ETHYL 4-([(TERT-BUTOXY)CARBONYL]AMINO)-3-OXOBUTANOATE, tert-butyl3-(ethoxycarbonyl)-2-oxopropylcarbamate, SCHEMBL1695195, KS-00000RDJ, MFRFJFDLZKHOFX-UHFFFAOYSA-N, KM1132, MFCD11616704, ZINC38284771, AKOS022185452, AB64441, DS-5971, AJ-94932, AK128809, ST2406937, 4CH-004209, X5879, 4-(Boc-amino)-3-oxobutanoic acid ethyl ester, ethyl 4-(tert-butoxycarbonylamino)-3-oxobutanoate, 4-tert-butoxycarbonylamino-3-oxo-butyric acid ethyl ester, TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE, C11H19NO5, CID11128564, TERT-BUTYL3- -2-OXOPROPYLCARBAMATE, Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-butanoate,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.275g/mol
Monoisotopic Mass	245.126g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	81.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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