3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid

C14H15ClN2O4 — CID 125151475

IUPAC3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN2O4/c15-9-2-1-3-10(8-9)17-7-5-11(14(17)21)13(20)16-6-4-12(18)19/h1-3,8,11H,4-7H2,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyJNZWCTQTOWXUKS-LLVKDONJSA-N
MW310.74 g/mol
LogP1.28
Rot. Bonds5

About 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid

3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 125151475) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID125151475
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN2O4/c15-9-2-1-3-10(8-9)17-7-5-11(14(17)21)13(20)16-6-4-12(18)19/h1-3,8,11H,4-7H2,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyJNZWCTQTOWXUKS-LLVKDONJSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid (CID 125151475) is 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is JNZWCTQTOWXUKS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-9-2-1-3-10(8-9)17-7-5-11(14(17)21)13(20)16-6-4-12(18)19/h1-3,8,11H,4-7H2,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 310.74 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 125151475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).