(2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide

C6H14N2O3 — CID 818714

IUPAC(2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide
SMILESCC(C)(CO)[C@H](O)C(=O)NN
InChIInChI=1S/C6H14N2O3/c1-6(2,3-9)4(10)5(11)8-7/h4,9-10H,3,7H2,1-2H3,(H,8,11)/t4-/m1/s1
InChIKeyGIEOPWBZNAVUBX-SCSAIBSYSA-N
MW162.19 g/mol
LogP-1.64
Rot. Bonds3

About (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide

(2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide (PubChem CID 818714) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound Name(2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide
PubChem CID818714
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide
SMILESCC(C)(CO)[C@H](O)C(=O)NN
InChIInChI=1S/C6H14N2O3/c1-6(2,3-9)4(10)5(11)8-7/h4,9-10H,3,7H2,1-2H3,(H,8,11)/t4-/m1/s1
InChIKeyGIEOPWBZNAVUBX-SCSAIBSYSA-N
XLogP-1.64
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 818715
N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125202
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
N-[3-(aminomethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 145046694
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
CID 172837539
CID 172837539
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 6997253
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The IUPAC name of (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide (CID 818714) is (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide.
What is the SMILES notation for (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The canonical SMILES for (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide is CC(C)(CO)[C@H](O)C(=O)NN.
What is the InChIKey of (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The InChIKey is GIEOPWBZNAVUBX-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-6(2,3-9)4(10)5(11)8-7/h4,9-10H,3,7H2,1-2H3,(H,8,11)/t4-/m1/s1.
What are the key properties of (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
(2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide has a molecular weight of 162.19 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dihydroxy-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 818714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).