(2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid

C9H13N5O4 — CID 28791057

IUPAC(2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)Cn1cncn1)C(=O)O
InChIInChI=1S/C9H13N5O4/c10-7(15)2-1-6(9(17)18)13-8(16)3-14-5-11-4-12-14/h4-6H,1-3H2,(H2,10,15)(H,13,16)(H,17,18)/t6-/m0/s1
InChIKeyLXTGUTUQABIWKI-LURJTMIESA-N
MW255.23 g/mol
LogP-1.89
Rot. Bonds7

About (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 28791057) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID28791057
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name(2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)Cn1cncn1)C(=O)O
InChIInChI=1S/C9H13N5O4/c10-7(15)2-1-6(9(17)18)13-8(16)3-14-5-11-4-12-14/h4-6H,1-3H2,(H2,10,15)(H,13,16)(H,17,18)/t6-/m0/s1
InChIKeyLXTGUTUQABIWKI-LURJTMIESA-N
XLogP-1.89
TPSA140.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]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 (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid (CID 28791057) is (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)Cn1cncn1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is LXTGUTUQABIWKI-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N5O4/c10-7(15)2-1-6(9(17)18)13-8(16)3-14-5-11-4-12-14/h4-6H,1-3H2,(H2,10,15)(H,13,16)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 28791057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).