(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide

C13H20N2O3 — CID 3048066

IUPAC(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
SMILESCC(C)(CO)[C@@H](O)C(=O)NNCc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-13(2,9-16)11(17)12(18)15-14-8-10-6-4-3-5-7-10/h3-7,11,14,16-17H,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyUALJZWVUQPESTK-NSHDSACASA-N
MW252.31 g/mol
LogP0.19
Rot. Bonds6

About (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide

(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide (PubChem CID 3048066) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound Name(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
PubChem CID3048066
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
SMILESCC(C)(CO)[C@@H](O)C(=O)NNCc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-13(2,9-16)11(17)12(18)15-14-8-10-6-4-3-5-7-10/h3-7,11,14,16-17H,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyUALJZWVUQPESTK-NSHDSACASA-N
XLogP0.19
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118272081
1-benzyl-3-[1-(2-benzylhydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 72991474
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
N'-benzyl-4,4-dimethylpentanehydrazide
CID 22069131
4-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 7335953
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
CID 155543448
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
CID 164616667
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
CID 125469748
[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 68685259
N'-benzyl-2-methylprop-2-enehydrazide
CID 175049559

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The IUPAC name of (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide (CID 3048066) is (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide.
What is the SMILES notation for (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The canonical SMILES for (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide is CC(C)(CO)[C@@H](O)C(=O)NNCc1ccccc1.
What is the InChIKey of (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The InChIKey is UALJZWVUQPESTK-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,9-16)11(17)12(18)15-14-8-10-6-4-3-5-7-10/h3-7,11,14,16-17H,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide has a molecular weight of 252.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 3048066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).