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

C9H15NO4 — CID 139391002

IUPAC1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(11)5-8(12)10-4-2-3-7(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyMLQWXVSGWVXOEY-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds3

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

1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 139391002) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID139391002
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(11)5-8(12)10-4-2-3-7(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyMLQWXVSGWVXOEY-UHFFFAOYSA-N
XLogP-0.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
(2S)-1-(4,4,4-trifluoro-3-propan-2-yloxybutanoyl)pyrrolidine-2-carboxylic acid
CID 70571358
(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371105
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid (CID 139391002) is 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid is CC(O)CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MLQWXVSGWVXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)5-8(12)10-4-2-3-7(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139391002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).