3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid

C14H18N2O3 — CID 64897035

IUPAC3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-11(9-13(17)18)14(19)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,17,18)
InChIKeyIEESKRHXQJCTRT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid

3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid (PubChem CID 64897035) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
PubChem CID64897035
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-11(9-13(17)18)14(19)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,17,18)
InChIKeyIEESKRHXQJCTRT-UHFFFAOYSA-N
XLogP1.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 43579561
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709
2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 65226010
2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid
CID 89060544
(3S)-3-amino-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 166251862
2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 81082575
(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51039475
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid (CID 64897035) is 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid is NC(CC(=O)O)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid?
The InChIKey is IEESKRHXQJCTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11(9-13(17)18)14(19)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,17,18).
What are the key properties of 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid?
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 64897035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).