2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid

C12H15N3O4 — CID 82880495

IUPAC2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)CN2CCCC2=O)c1C(=O)O
InChIInChI=1S/C12H15N3O4/c1-7-11(12(18)19)8(5-13-7)14-9(16)6-15-4-2-3-10(15)17/h5,13H,2-4,6H2,1H3,(H,14,16)(H,18,19)
InChIKeyYACDGXQBKIRYDQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.58
Rot. Bonds4

About 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid

2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid (PubChem CID 82880495) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
PubChem CID82880495
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)CN2CCCC2=O)c1C(=O)O
InChIInChI=1S/C12H15N3O4/c1-7-11(12(18)19)8(5-13-7)14-9(16)6-15-4-2-3-10(15)17/h5,13H,2-4,6H2,1H3,(H,14,16)(H,18,19)
InChIKeyYACDGXQBKIRYDQ-UHFFFAOYSA-N
XLogP0.58
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43442842
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 112689248
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113262958
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81003857
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
CID 9374401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid (CID 82880495) is 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)CN2CCCC2=O)c1C(=O)O.
What is the InChIKey of 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The InChIKey is YACDGXQBKIRYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-11(12(18)19)8(5-13-7)14-9(16)6-15-4-2-3-10(15)17/h5,13H,2-4,6H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).