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

C9H15N5O3 — CID 103927256

IUPAC(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1nc(N)n[nH]1)C(=O)O
InChIInChI=1S/C9H15N5O3/c1-9(2,3)4(7(16)17)11-6(15)5-12-8(10)14-13-5/h4H,1-3H3,(H,11,15)(H,16,17)(H3,10,12,13,14)/t4-/m0/s1
InChIKeyKESCNIIIWMJFKV-BYPYZUCNSA-N
MW241.25 g/mol
LogP-0.38
Rot. Bonds3

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

(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103927256) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103927256
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1nc(N)n[nH]1)C(=O)O
InChIInChI=1S/C9H15N5O3/c1-9(2,3)4(7(16)17)11-6(15)5-12-8(10)14-13-5/h4H,1-3H3,(H,11,15)(H,16,17)(H3,10,12,13,14)/t4-/m0/s1
InChIKeyKESCNIIIWMJFKV-BYPYZUCNSA-N
XLogP-0.38
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
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 (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55115197
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 94599696
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62793698
(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830203
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65049024
4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 62794044
3-amino-N-(1-methoxypropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807690
3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
CID 64974852
3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808107
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 94599693
(2S)-3,3-dimethyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 61144659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 103927256) is (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)c1nc(N)n[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is KESCNIIIWMJFKV-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-9(2,3)4(7(16)17)11-6(15)5-12-8(10)14-13-5/h4H,1-3H3,(H,11,15)(H,16,17)(H3,10,12,13,14)/t4-/m0/s1.
What are the key properties of (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).