(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid

C11H19NO3 — CID 59650074

IUPAC(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
SMILESCCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-3-5-8-6-10(13)12(7-8)9(4-2)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyLTDAHGXWZNKFNP-BDAKNGLRSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid

(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid (PubChem CID 59650074) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
PubChem CID59650074
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
SMILESCCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-3-5-8-6-10(13)12(7-8)9(4-2)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyLTDAHGXWZNKFNP-BDAKNGLRSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
(2R)-2-bromobutanoic acid;(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid;(4R)-4-propylpyrrolidin-2-one
CID 157137050
propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 171485829
(2S)-2-(4-chloro-2-oxopyrrolidin-1-yl)butanoic acid
CID 168686963
(2S)-2-[(4R)-4-(2,2-dideuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 122551749
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
(2S)-2-(1-ethylcycloprop-2-en-1-yl)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]acetic acid
CID 134580634
4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 22387137
ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511114
(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 59650078
2-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 22387223
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]octanoic acid
CID 168506628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid (CID 59650074) is (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid is CCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)O)C1.
What is the InChIKey of (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid?
The InChIKey is LTDAHGXWZNKFNP-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-8-6-10(13)12(7-8)9(4-2)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid?
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 59650074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).