(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid

C9H15NO4 — CID 15384175

IUPAC(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCCO
InChIInChI=1S/C9H15NO4/c11-6-2-4-8(12)10-5-1-3-7(10)9(13)14/h7,11H,1-6H2,(H,13,14)/t7-/m0/s1
InChIKeyABVPDIPNYYYDQF-ZETCQYMHSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds4

About (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 15384175) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID15384175
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCCO
InChIInChI=1S/C9H15NO4/c11-6-2-4-8(12)10-5-1-3-7(10)9(13)14/h7,11H,1-6H2,(H,13,14)/t7-/m0/s1
InChIKeyABVPDIPNYYYDQF-ZETCQYMHSA-N
XLogP-0.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
CID 160598111
CID 160598111
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
(2S)-1-(14-deuteriotetradecanoyl)pyrrolidine-2-carboxylic acid
CID 139795188
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid (CID 15384175) is (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCCO.
What is the InChIKey of (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ABVPDIPNYYYDQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO4/c11-6-2-4-8(12)10-5-1-3-7(10)9(13)14/h7,11H,1-6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.22 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 (2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15384175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).