(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide

C16H22N6O4 — CID 155529491

IUPAC(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1cn(-c2ccccc2O)nn1)C(=O)NO
InChIInChI=1S/C16H22N6O4/c1-10(2)7-12(15(24)20-26)18-16(25)17-8-11-9-22(21-19-11)13-5-3-4-6-14(13)23/h3-6,9-10,12,23,26H,7-8H2,1-2H3,(H,20,24)(H2,17,18,25)/t12-/m0/s1
InChIKeyIFXCXCKATHFJNU-LBPRGKRZSA-N
MW362.39 g/mol
LogP0.69
Rot. Bonds7

About (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide

(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide (PubChem CID 155529491) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
PubChem CID155529491
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1cn(-c2ccccc2O)nn1)C(=O)NO
InChIInChI=1S/C16H22N6O4/c1-10(2)7-12(15(24)20-26)18-16(25)17-8-11-9-22(21-19-11)13-5-3-4-6-14(13)23/h3-6,9-10,12,23,26H,7-8H2,1-2H3,(H,20,24)(H2,17,18,25)/t12-/m0/s1
InChIKeyIFXCXCKATHFJNU-LBPRGKRZSA-N
XLogP0.69
TPSA141.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide 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

(2S)-N-hydroxy-2-[[1-(2-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155520273
(2S)-N-hydroxy-2-[[1-(3-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155520984
(2S)-N-hydroxy-2-[[1-(3-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155522900
(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155524942
(2S)-2-[[1-(2,6-diethoxyphenyl)triazol-4-yl]methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 155539310
(2S)-2-[[1-(2,6-dimethoxyphenyl)triazol-4-yl]methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 155556164
(2S)-2-[[1-(2-ethoxyphenyl)triazol-4-yl]methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 155558315
(2S)-N-hydroxy-2-[[1-(4-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155560228
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyphenyl)acetamide
CID 113314203
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide
CID 115460129
2-[4-(aminomethyl)triazol-1-yl]-N-(5-ethyl-2-hydroxyphenyl)acetamide
CID 115460131
2-[5-[2-(Methylamino)propyl]triazol-1-yl]phenol
CID 117167145

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide (CID 155529491) is (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide is CC(C)C[C@H](NC(=O)NCc1cn(-c2ccccc2O)nn1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
The InChIKey is IFXCXCKATHFJNU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-10(2)7-12(15(24)20-26)18-16(25)17-8-11-9-22(21-19-11)13-5-3-4-6-14(13)23/h3-6,9-10,12,23,26H,7-8H2,1-2H3,(H,20,24)(H2,17,18,25)/t12-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide has a molecular weight of 362.39 g/mol, XLogP of 0.69, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide is sourced from PubChem (CID 155529491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).