AG00D8CM

Name: 3-(2-Carboxy-ethyl)-indole-1-carboxylic acid tert-butyl ester
Brand: Angene Chemical
SKU: AG00D8CM

468721-38-2 | 3-(2-Carboxy-ethyl)-indole-1-carboxylic acid tert-butyl ester

AG00D8CM

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CAS Number	468721-38-2
Catalog Number	AG00D8CM(AGN-PC-0NP911)
Chemical Name	3-(2-Carboxy-ethyl)-indole-1-carboxylic acid tert-butyl ester
IUPAC Name	3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
InChI	InChI=1S/C16H19NO4/c1-16(2,3)21-15(20)17-10-11(8-9-14(18)19)12-6-4-5-7-13(12)17/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChI Key	IUINFUFJPVTRQX-UHFFFAOYSA-N
MDL Number	MFCD06738961
Molecular Formula	C16H19NO4
Molecular Weight	289.3264
SMILES	O=C(O)CCC1=CN(C(OC(C)(C)C)=O)C2=C1C=CC=C2
Synonyms	468721-38-2, 3-(1-(TERT-BUTOXYCARBONYL)-1H-INDOL-3-YL)PROPANOIC ACID, 3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}propanoic acid, 1H-Indole-3-propanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, 3-[1-(tert-Butoxycarbonyl)-1H-indol-3-yl]propanoic acid, CTK1D1864, KS-00001YMY, DTXSID70653027, ZINC26896669, AKOS015993173, AB28270, MCULE-5670555783, DA-05651, FT-0760351, 6P-010, 3-(2-carboxyethyl)indole-1-carboxylic acid tert-butyl ester, 3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, N/A,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.131g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	289.331g/mol
Monoisotopic Mass	289.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited