(2S)-N'-hydroxy-2-methylhexanediamide

C7H14N2O3 — CID 173132567

IUPAC(2S)-N'-hydroxy-2-methylhexanediamide
SMILESC[C@@H](CCCC(=O)NO)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(7(8)11)3-2-4-6(10)9-12/h5,12H,2-4H2,1H3,(H2,8,11)(H,9,10)/t5-/m0/s1
InChIKeyRREJFDFZGFUFBX-YFKPBYRVSA-N
MW174.20 g/mol
LogP-0.22
Rot. Bonds5

About (2S)-N'-hydroxy-2-methylhexanediamide

(2S)-N'-hydroxy-2-methylhexanediamide (PubChem CID 173132567) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-methylhexanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-methylhexanediamide
PubChem CID173132567
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-N'-hydroxy-2-methylhexanediamide
SMILESC[C@@H](CCCC(=O)NO)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(7(8)11)3-2-4-6(10)9-12/h5,12H,2-4H2,1H3,(H2,8,11)(H,9,10)/t5-/m0/s1
InChIKeyRREJFDFZGFUFBX-YFKPBYRVSA-N
XLogP-0.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N'-hydroxy-2-methyloctanediamide
CID 142680471
N',2-dimethylpentanediamide
CID 21268064
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
2-methylhexanamide
CID 2828737
2-methylnon-7-enamide
CID 142782091
(2S)-2-methyl-5-sulfanylpentanamide
CID 173149777
ethane;N'-hydroxyoctanediamide
CID 144754010
CID 57354386
CID 57354386
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
2-methylheptanamide;2-methylhexanamide
CID 160718848
6-cyclopropylidene-2-methylheptanamide
CID 70282436

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-methylhexanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-methylhexanediamide (CID 173132567) is (2S)-N'-hydroxy-2-methylhexanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-methylhexanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-methylhexanediamide is C[C@@H](CCCC(=O)NO)C(N)=O.
What is the InChIKey of (2S)-N'-hydroxy-2-methylhexanediamide?
The InChIKey is RREJFDFZGFUFBX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(7(8)11)3-2-4-6(10)9-12/h5,12H,2-4H2,1H3,(H2,8,11)(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-methylhexanediamide?
(2S)-N'-hydroxy-2-methylhexanediamide has a molecular weight of 174.20 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-methylhexanediamide is sourced from PubChem (CID 173132567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).