(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide

C11H21NO2 — CID 89423792

IUPAC(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)C[C@H](C)O)CC1
InChIInChI=1S/C11H21NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8?,9-,10?/m0/s1
InChIKeyBLCSEAQHWNGXFV-KYHHOPLUSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds3

About (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide

(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide (PubChem CID 89423792) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
PubChem CID89423792
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)C[C@H](C)O)CC1
InChIInChI=1S/C11H21NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8?,9-,10?/m0/s1
InChIKeyBLCSEAQHWNGXFV-KYHHOPLUSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
N-cyclopropyl-3-methylhexanamide
CID 155359047
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
3-methyl-N-(3-methylcyclopentyl)pentanamide
CID 114875354
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
CID 168729925
3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide (CID 89423792) is (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide is CC1CCC(NC(=O)C[C@H](C)O)CC1.
What is the InChIKey of (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide?
The InChIKey is BLCSEAQHWNGXFV-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8?,9-,10?/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide?
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 89423792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).