2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid

C19H25N3O6 — CID 7094115

IUPAC2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
SMILESCOc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC2=O)cc1
InChIInChI=1S/C19H25N3O6/c1-11(2)17(19(27)20-9-16(24)25)21-18(26)12-8-15(23)22(10-12)13-4-6-14(28-3)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H,20,27)(H,21,26)(H,24,25)/t12-,17+/m1/s1
InChIKeyKCHJYJUWWYSTBK-PXAZEXFGSA-N
MW391.42 g/mol
LogP0.39
Rot. Bonds8

About 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid

2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid (PubChem CID 7094115) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
PubChem CID7094115
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
SMILESCOc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC2=O)cc1
InChIInChI=1S/C19H25N3O6/c1-11(2)17(19(27)20-9-16(24)25)21-18(26)12-8-15(23)22(10-12)13-4-6-14(28-3)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H,20,27)(H,21,26)(H,24,25)/t12-,17+/m1/s1
InChIKeyKCHJYJUWWYSTBK-PXAZEXFGSA-N
XLogP0.39
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7633205
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
2-[2-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoylamino]acetic acid
CID 4964643
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3R)-N-[(2S)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7095385
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
3-[[(2S)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoate
CID 7096145
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4910901
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid (CID 7094115) is 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid is COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC2=O)cc1.
What is the InChIKey of 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid?
The InChIKey is KCHJYJUWWYSTBK-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-11(2)17(19(27)20-9-16(24)25)21-18(26)12-8-15(23)22(10-12)13-4-6-14(28-3)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H,20,27)(H,21,26)(H,24,25)/t12-,17+/m1/s1.
What are the key properties of 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid?
2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid has a molecular weight of 391.42 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid is sourced from PubChem (CID 7094115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).