5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

C14H19N3O8 — CID 57255275

IUPAC5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESO=C[C@H](CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H19N3O8/c18-6-7(5-12(22)23)15-13(24)9(2-4-11(20)21)17-14(25)8-1-3-10(19)16-8/h6-9H,1-5H2,(H,15,24)(H,16,19)(H,17,25)(H,20,21)(H,22,23)/t7-,8-,9?/m0/s1
InChIKeyPHXFOTHNRJATBY-JVIMKECRSA-N
MW357.32 g/mol
LogP-2.23
Rot. Bonds10

About 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 57255275) has the molecular formula C14H19N3O8 and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID57255275
Molecular FormulaC14H19N3O8
Molecular Weight357.32 g/mol
Exact Mass357.12
IUPAC Name5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESO=C[C@H](CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H19N3O8/c18-6-7(5-12(22)23)15-13(24)9(2-4-11(20)21)17-14(25)8-1-3-10(19)16-8/h6-9H,1-5H2,(H,15,24)(H,16,19)(H,17,25)(H,20,21)(H,22,23)/t7-,8-,9?/m0/s1
InChIKeyPHXFOTHNRJATBY-JVIMKECRSA-N
XLogP-2.23
TPSA178.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid (CID 57255275) is 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid is O=C[C@H](CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is PHXFOTHNRJATBY-JVIMKECRSA-N. The full InChI is InChI=1S/C14H19N3O8/c18-6-7(5-12(22)23)15-13(24)9(2-4-11(20)21)17-14(25)8-1-3-10(19)16-8/h6-9H,1-5H2,(H,15,24)(H,16,19)(H,17,25)(H,20,21)(H,22,23)/t7-,8-,9?/m0/s1.
What are the key properties of 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 357.32 g/mol, XLogP of -2.23, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 57255275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).