1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid

C10H15NO4 — CID 59676020

IUPAC1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(=O)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H15NO4/c1-2-7(12)6-9(13)11-5-3-4-8(11)10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyQFEOPFYMJJCPJD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.43
Rot. Bonds4

About 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid

1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 59676020) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID59676020
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(=O)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H15NO4/c1-2-7(12)6-9(13)11-5-3-4-8(11)10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyQFEOPFYMJJCPJD-UHFFFAOYSA-N
XLogP0.43
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid (CID 59676020) is 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid is CCC(=O)CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QFEOPFYMJJCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-7(12)6-9(13)11-5-3-4-8(11)10(14)15/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid?
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59676020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).