(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide

C16H28N4O4 — CID 54276960

IUPAC(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](c1ncc[nH]1)C(C)(C)C)[C@H](O)C(=O)NO
InChIInChI=1S/C16H28N4O4/c1-9(2)8-10(11(21)15(23)20-24)14(22)19-12(16(3,4)5)13-17-6-7-18-13/h6-7,9-12,21,24H,8H2,1-5H3,(H,17,18)(H,19,22)(H,20,23)/t10-,11+,12-/m1/s1
InChIKeyROBPBTIUZHJBQY-GRYCIOLGSA-N
MW340.42 g/mol
LogP1.14
Rot. Bonds7

About (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide

(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide (PubChem CID 54276960) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide
PubChem CID54276960
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](c1ncc[nH]1)C(C)(C)C)[C@H](O)C(=O)NO
InChIInChI=1S/C16H28N4O4/c1-9(2)8-10(11(21)15(23)20-24)14(22)19-12(16(3,4)5)13-17-6-7-18-13/h6-7,9-12,21,24H,8H2,1-5H3,(H,17,18)(H,19,22)(H,20,23)/t10-,11+,12-/m1/s1
InChIKeyROBPBTIUZHJBQY-GRYCIOLGSA-N
XLogP1.14
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide?
The IUPAC name of (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide (CID 54276960) is (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide?
The canonical SMILES for (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide is CC(C)C[C@@H](C(=O)N[C@H](c1ncc[nH]1)C(C)(C)C)[C@H](O)C(=O)NO.
What is the InChIKey of (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide?
The InChIKey is ROBPBTIUZHJBQY-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-9(2)8-10(11(21)15(23)20-24)14(22)19-12(16(3,4)5)13-17-6-7-18-13/h6-7,9-12,21,24H,8H2,1-5H3,(H,17,18)(H,19,22)(H,20,23)/t10-,11+,12-/m1/s1.
What are the key properties of (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide?
(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide has a molecular weight of 340.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2,2-dimethylpropyl]-3-(2-methylpropyl)butanediamide is sourced from PubChem (CID 54276960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).