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

C8H12N4O4 — CID 107822795

IUPAC(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
SMILESCc1nc(C(=O)N[C@H](CCO)C(=O)O)n[nH]1
InChIInChI=1S/C8H12N4O4/c1-4-9-6(12-11-4)7(14)10-5(2-3-13)8(15)16/h5,13H,2-3H2,1H3,(H,10,14)(H,15,16)(H,9,11,12)/t5-/m1/s1
InChIKeyQPVWPJPSOLRXJA-RXMQYKEDSA-N
MW228.21 g/mol
LogP-1.32
Rot. Bonds5

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

(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid (PubChem CID 107822795) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
PubChem CID107822795
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
SMILESCc1nc(C(=O)N[C@H](CCO)C(=O)O)n[nH]1
InChIInChI=1S/C8H12N4O4/c1-4-9-6(12-11-4)7(14)10-5(2-3-13)8(15)16/h5,13H,2-3H2,1H3,(H,10,14)(H,15,16)(H,9,11,12)/t5-/m1/s1
InChIKeyQPVWPJPSOLRXJA-RXMQYKEDSA-N
XLogP-1.32
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786590
(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 114005016
(2S)-5-ethoxy-2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039200
2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786211
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107861491
N-(4-hydroxybutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 83188390
(2R)-4-hydroxy-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid
CID 107822736
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114004919
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
CID 43630854
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005421
(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
CID 107823222

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid (CID 107822795) is (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid is Cc1nc(C(=O)N[C@H](CCO)C(=O)O)n[nH]1.
What is the InChIKey of (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
The InChIKey is QPVWPJPSOLRXJA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-4-9-6(12-11-4)7(14)10-5(2-3-13)8(15)16/h5,13H,2-3H2,1H3,(H,10,14)(H,15,16)(H,9,11,12)/t5-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid has a molecular weight of 228.21 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107822795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).