3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid

C11H18N2O4 — CID 168695626

IUPAC3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C11H18N2O4/c1-6(2)8(4-10(15)16)13-5-7(11(12)17)3-9(13)14/h6-8H,3-5H2,1-2H3,(H2,12,17)(H,15,16)
InChIKeySVZYATZWYCPKFM-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.18
Rot. Bonds5

About 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid (PubChem CID 168695626) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
PubChem CID168695626
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C11H18N2O4/c1-6(2)8(4-10(15)16)13-5-7(11(12)17)3-9(13)14/h6-8H,3-5H2,1-2H3,(H2,12,17)(H,15,16)
InChIKeySVZYATZWYCPKFM-UHFFFAOYSA-N
XLogP-0.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 168695754
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168713105
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
CID 168695813
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
CID 168695905
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
The IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid (CID 168695626) is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid is CC(C)C(CC(=O)O)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
The InChIKey is SVZYATZWYCPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(2)8(4-10(15)16)13-5-7(11(12)17)3-9(13)14/h6-8H,3-5H2,1-2H3,(H2,12,17)(H,15,16).
What are the key properties of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 168695626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).