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

C11H18N2O4 — CID 43355333

IUPAC2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CC(=O)N(C(C)C)C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6(2)13-5-8(4-9(13)14)10(15)12-7(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyPDYWGZIABKAPSF-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.17
Rot. Bonds4

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

2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 43355333) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID43355333
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CC(=O)N(C(C)C)C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6(2)13-5-8(4-9(13)14)10(15)12-7(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyPDYWGZIABKAPSF-UHFFFAOYSA-N
XLogP-0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
4-methylsulfanyl-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 43353443
(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 108791060

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 43355333) is 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(NC(=O)C1CC(=O)N(C(C)C)C1)C(=O)O.
What is the InChIKey of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is PDYWGZIABKAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(2)13-5-8(4-9(13)14)10(15)12-7(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43355333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).