3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

C9H14N2O4 — CID 43354792

IUPAC3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN1CC(C(=O)NCCC(=O)O)CC1=O
InChIInChI=1S/C9H14N2O4/c1-11-5-6(4-7(11)12)9(15)10-3-2-8(13)14/h6H,2-5H2,1H3,(H,10,15)(H,13,14)
InChIKeyWNSKVIDHVXZCBI-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.94
Rot. Bonds4

About 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 43354792) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID43354792
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN1CC(C(=O)NCCC(=O)O)CC1=O
InChIInChI=1S/C9H14N2O4/c1-11-5-6(4-7(11)12)9(15)10-3-2-8(13)14/h6H,2-5H2,1H3,(H,10,15)(H,13,14)
InChIKeyWNSKVIDHVXZCBI-UHFFFAOYSA-N
XLogP-0.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75414529
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 66004114
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435852
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79807238

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (CID 43354792) is 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is CN1CC(C(=O)NCCC(=O)O)CC1=O.
What is the InChIKey of 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is WNSKVIDHVXZCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-11-5-6(4-7(11)12)9(15)10-3-2-8(13)14/h6H,2-5H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43354792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).