2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid

C13H14N2O4 — CID 42569448

IUPAC2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H14N2O4/c16-11-6-9(13(19)14-7-12(17)18)8-15(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,19)(H,17,18)/t9-/m0/s1
InChIKeyABBFJJZKCOZABQ-VIFPVBQESA-N
MW262.26 g/mol
LogP0.24
Rot. Bonds4

About 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid

2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 42569448) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID42569448
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H14N2O4/c16-11-6-9(13(19)14-7-12(17)18)8-15(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,19)(H,17,18)/t9-/m0/s1
InChIKeyABBFJJZKCOZABQ-VIFPVBQESA-N
XLogP0.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39352253
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39045222
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid (CID 42569448) is 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is ABBFJJZKCOZABQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-6-9(13(19)14-7-12(17)18)8-15(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,19)(H,17,18)/t9-/m0/s1.
What are the key properties of 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid?
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 42569448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).