(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid

C9H15N5O3 — CID 55115197

IUPAC(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1nc(N)n[nH]1)C(=O)O
InChIInChI=1S/C9H15N5O3/c1-3-4(2)5(8(16)17)11-7(15)6-12-9(10)14-13-6/h4-5H,3H2,1-2H3,(H,11,15)(H,16,17)(H3,10,12,13,14)/t4-,5-/m0/s1
InChIKeyMPSUZJUTUPTQIX-WHFBIAKZSA-N
MW241.25 g/mol
LogP-0.38
Rot. Bonds5

About (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 55115197) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
PubChem CID55115197
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1nc(N)n[nH]1)C(=O)O
InChIInChI=1S/C9H15N5O3/c1-3-4(2)5(8(16)17)11-7(15)6-12-9(10)14-13-6/h4-5H,3H2,1-2H3,(H,11,15)(H,16,17)(H3,10,12,13,14)/t4-,5-/m0/s1
InChIKeyMPSUZJUTUPTQIX-WHFBIAKZSA-N
XLogP-0.38
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic 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

3-amino-N-(1-methoxypropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807690
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65049024
3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 94599693
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
(2S)-3-methyl-2-(thiadiazole-5-carbonylamino)pentanoic acid
CID 61172933
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
3-amino-N-(3-methylbut-2-enyl)-1H-1,2,4-triazole-5-carboxamide
CID 106187377
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid (CID 55115197) is (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)c1nc(N)n[nH]1)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is MPSUZJUTUPTQIX-WHFBIAKZSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-3-4(2)5(8(16)17)11-7(15)6-12-9(10)14-13-6/h4-5H,3H2,1-2H3,(H,11,15)(H,16,17)(H3,10,12,13,14)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 55115197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).