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

C14H16N2O4 — CID 39889994

IUPAC(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(14(19)20)15-13(18)10-7-12(17)16(8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyOSFXUNYMMWPLGC-ZJUUUORDSA-N
MW276.29 g/mol
LogP0.63
Rot. Bonds4

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

(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 39889994) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID39889994
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(14(19)20)15-13(18)10-7-12(17)16(8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyOSFXUNYMMWPLGC-ZJUUUORDSA-N
XLogP0.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
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CID 108791060
2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119224981
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
CID 133269506
N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
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(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
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(3R)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94797170
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
N-[1-(2-chlorophenyl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46407436
N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20842923
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid (CID 39889994) is (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid is C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is OSFXUNYMMWPLGC-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(14(19)20)15-13(18)10-7-12(17)16(8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid?
(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 39889994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).