(2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide

C11H22N2O3 — CID 158772858

IUPAC(2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide
SMILESCCCCC(=O)NNC(=O)[C@@H](O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-6-7-8(14)12-13-10(16)9(15)11(2,3)4/h9,15H,5-7H2,1-4H3,(H,12,14)(H,13,16)/t9-/m1/s1
InChIKeyIQCBXGPFIZDRSP-SECBINFHSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds4

About (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide

(2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide (PubChem CID 158772858) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide
PubChem CID158772858
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide
SMILESCCCCC(=O)NNC(=O)[C@@H](O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-6-7-8(14)12-13-10(16)9(15)11(2,3)4/h9,15H,5-7H2,1-4H3,(H,12,14)(H,13,16)/t9-/m1/s1
InChIKeyIQCBXGPFIZDRSP-SECBINFHSA-N
XLogP0.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-methyl-N'-pentanoylbutanehydrazide
CID 91097434
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CID 4189426
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659
N-[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]dodecanamide
CID 15610303
N'-(2-chloroacetyl)octanehydrazide
CID 5171797
6,8-ditert-butyl-N'-[(Z)-6,8-ditert-butyl-7-hydroxy-4-oxohenicos-12-enoyl]-7-hydroxy-4-oxohenicos-12-enehydrazide
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N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide?
The IUPAC name of (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide (CID 158772858) is (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide.
What is the SMILES notation for (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide?
The canonical SMILES for (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide is CCCCC(=O)NNC(=O)[C@@H](O)C(C)(C)C.
What is the InChIKey of (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide?
The InChIKey is IQCBXGPFIZDRSP-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-7-8(14)12-13-10(16)9(15)11(2,3)4/h9,15H,5-7H2,1-4H3,(H,12,14)(H,13,16)/t9-/m1/s1.
What are the key properties of (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide?
(2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide has a molecular weight of 230.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3,3-dimethyl-N'-pentanoylbutanehydrazide is sourced from PubChem (CID 158772858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).