2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid

C8H13N5O3 — CID 117063889

IUPAC2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESCC(N)C(=O)NC(Cn1cncn1)C(=O)O
InChIInChI=1S/C8H13N5O3/c1-5(9)7(14)12-6(8(15)16)2-13-4-10-3-11-13/h3-6H,2,9H2,1H3,(H,12,14)(H,15,16)
InChIKeyNHUDLOREYGUKAH-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.81
Rot. Bonds5

About 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid

2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 117063889) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID117063889
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESCC(N)C(=O)NC(Cn1cncn1)C(=O)O
InChIInChI=1S/C8H13N5O3/c1-5(9)7(14)12-6(8(15)16)2-13-4-10-3-11-13/h3-6H,2,9H2,1H3,(H,12,14)(H,15,16)
InChIKeyNHUDLOREYGUKAH-UHFFFAOYSA-N
XLogP-1.81
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
2-(2-aminopropanoylamino)-3-(ethyldisulfanyl)propanoic acid
CID 71317997
4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43210967
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid
CID 91438013
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid (CID 117063889) is 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid is CC(N)C(=O)NC(Cn1cncn1)C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is NHUDLOREYGUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-5(9)7(14)12-6(8(15)16)2-13-4-10-3-11-13/h3-6H,2,9H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid?
2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 117063889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).