(2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide

C16H22N6O3 — CID 155552155

IUPAC(2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)C(=O)NO
InChIInChI=1S/C16H22N6O3/c1-3-11(2)14(15(23)20-25)18-16(24)17-9-12-10-22(21-19-12)13-7-5-4-6-8-13/h4-8,10-11,14,25H,3,9H2,1-2H3,(H,20,23)(H2,17,18,24)/t11-,14-/m0/s1
InChIKeyDVHVTBAKPCDMNX-FZMZJTMJSA-N
MW346.39 g/mol
LogP0.99
Rot. Bonds7

About (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide

(2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide (PubChem CID 155552155) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide
PubChem CID155552155
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name(2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)C(=O)NO
InChIInChI=1S/C16H22N6O3/c1-3-11(2)14(15(23)20-25)18-16(24)17-9-12-10-22(21-19-12)13-7-5-4-6-8-13/h4-8,10-11,14,25H,3,9H2,1-2H3,(H,20,23)(H2,17,18,24)/t11-,14-/m0/s1
InChIKeyDVHVTBAKPCDMNX-FZMZJTMJSA-N
XLogP0.99
TPSA121.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide?
The IUPAC name of (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide (CID 155552155) is (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide?
The canonical SMILES for (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide is CC[C@H](C)[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)C(=O)NO.
What is the InChIKey of (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide?
The InChIKey is DVHVTBAKPCDMNX-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-3-11(2)14(15(23)20-25)18-16(24)17-9-12-10-22(21-19-12)13-7-5-4-6-8-13/h4-8,10-11,14,25H,3,9H2,1-2H3,(H,20,23)(H2,17,18,24)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide?
(2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide has a molecular weight of 346.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-3-methyl-2-[(1-phenyltriazol-4-yl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 155552155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).