2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid

C13H22N2O4 — CID 119349166

IUPAC2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCCC(CC)N1CC(C(=O)NC(C)C(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-10(5-2)15-7-9(6-11(15)16)12(17)14-8(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyKXIQPRDBPCKEPM-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds6

About 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid

2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 119349166) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID119349166
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCCC(CC)N1CC(C(=O)NC(C)C(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-10(5-2)15-7-9(6-11(15)16)12(17)14-8(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyKXIQPRDBPCKEPM-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450895
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826905
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119522458
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 119349166) is 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid is CCC(CC)N1CC(C(=O)NC(C)C(=O)O)CC1=O.
What is the InChIKey of 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is KXIQPRDBPCKEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-10(5-2)15-7-9(6-11(15)16)12(17)14-8(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119349166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).