(3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide

C7H16N2O3 — CID 130198455

IUPAC(3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide
SMILESCC(C)NNC(=O)C[C@H](O)CO
InChIInChI=1S/C7H16N2O3/c1-5(2)8-9-7(12)3-6(11)4-10/h5-6,8,10-11H,3-4H2,1-2H3,(H,9,12)/t6-/m0/s1
InChIKeyHOASBCXAHICJNT-LURJTMIESA-N
MW176.22 g/mol
LogP-1.24
Rot. Bonds5

About (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide

(3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide (PubChem CID 130198455) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide.

Molecular Properties

Compound Name(3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide
PubChem CID130198455
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide
SMILESCC(C)NNC(=O)C[C@H](O)CO
InChIInChI=1S/C7H16N2O3/c1-5(2)8-9-7(12)3-6(11)4-10/h5-6,8,10-11H,3-4H2,1-2H3,(H,9,12)/t6-/m0/s1
InChIKeyHOASBCXAHICJNT-LURJTMIESA-N
XLogP-1.24
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.24
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

N-ethyl-3,4-dihydroxybutanamide
CID 18386927
(3S)-N-ethyl-3,4-dihydroxybutanamide
CID 11286550
2-amino-N'-propan-2-ylacetohydrazide
CID 55290917
(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide
CID 87957366
1,2-dihydroxy-5-methylheptan-4-one
CID 168860492
(5S)-1,2-dihydroxy-5-methylheptan-4-one
CID 168860493
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
(6S)-6,7-dihydroxyheptane-3,4-dione
CID 58618706
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
CID 158648791
CID 158648791

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide?
The IUPAC name of (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide (CID 130198455) is (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide.
What is the SMILES notation for (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide?
The canonical SMILES for (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide is CC(C)NNC(=O)C[C@H](O)CO.
What is the InChIKey of (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide?
The InChIKey is HOASBCXAHICJNT-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(2)8-9-7(12)3-6(11)4-10/h5-6,8,10-11H,3-4H2,1-2H3,(H,9,12)/t6-/m0/s1.
What are the key properties of (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide?
(3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide has a molecular weight of 176.22 g/mol, XLogP of -1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dihydroxy-N'-propan-2-ylbutanehydrazide is sourced from PubChem (CID 130198455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).