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

C10H16N4O4 — CID 114005016

IUPAC(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
SMILESCC(C)c1nc(C(=O)N[C@H](CCO)C(=O)O)n[nH]1
InChIInChI=1S/C10H16N4O4/c1-5(2)7-12-8(14-13-7)9(16)11-6(3-4-15)10(17)18/h5-6,15H,3-4H2,1-2H3,(H,11,16)(H,17,18)(H,12,13,14)/t6-/m1/s1
InChIKeyFSCAAZPUSDKLQZ-ZCFIWIBFSA-N
MW256.26 g/mol
LogP-0.51
Rot. Bonds6

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

(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid (PubChem CID 114005016) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
PubChem CID114005016
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
SMILESCC(C)c1nc(C(=O)N[C@H](CCO)C(=O)O)n[nH]1
InChIInChI=1S/C10H16N4O4/c1-5(2)7-12-8(14-13-7)9(16)11-6(3-4-15)10(17)18/h5-6,15H,3-4H2,1-2H3,(H,11,16)(H,17,18)(H,12,13,14)/t6-/m1/s1
InChIKeyFSCAAZPUSDKLQZ-ZCFIWIBFSA-N
XLogP-0.51
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-(4-hydroxybutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 83188390
(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 107822795
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-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 107861489
(2S)-5-ethoxy-2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039200
5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786590
(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
N-(3,3-difluoro-2-hydroxypropyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114094043
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid (CID 114005016) is (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid is CC(C)c1nc(C(=O)N[C@H](CCO)C(=O)O)n[nH]1.
What is the InChIKey of (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
The InChIKey is FSCAAZPUSDKLQZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5(2)7-12-8(14-13-7)9(16)11-6(3-4-15)10(17)18/h5-6,15H,3-4H2,1-2H3,(H,11,16)(H,17,18)(H,12,13,14)/t6-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.51, 6 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-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114005016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).