(2R)-2-acetamido-2-cyclohexylbutanoic acid

C12H21NO3 — CID 69419169

IUPAC(2R)-2-acetamido-2-cyclohexylbutanoic acid
SMILESCC[C@](NC(C)=O)(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-3-12(11(15)16,13-9(2)14)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/t12-/m1/s1
InChIKeyHKWHXKWOVOLGSC-GFCCVEGCSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds4

About (2R)-2-acetamido-2-cyclohexylbutanoic acid

(2R)-2-acetamido-2-cyclohexylbutanoic acid (PubChem CID 69419169) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-2-acetamido-2-cyclohexylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-2-cyclohexylbutanoic acid
PubChem CID69419169
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-2-acetamido-2-cyclohexylbutanoic acid
SMILESCC[C@](NC(C)=O)(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-3-12(11(15)16,13-9(2)14)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/t12-/m1/s1
InChIKeyHKWHXKWOVOLGSC-GFCCVEGCSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetamido-4-methylcyclohexane-1-carboxylic acid
CID 43163090
1-Acetamidocyclohexane-1-carboxylic acid
CID 11672793
1-(2,2,2-Trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 18949399
2-(Tert-butylcarbamoyl)cyclohexanecarboxylic acid
CID 3933765
2-Methyl-7-oxoazepane-2-carboxylic acid
CID 84021767
2-Ethyl-7-oxoazepane-2-carboxylic acid
CID 86820441
trans-2-Tert-butylcarbamoyl-cyclohexanecarboxylic acid
CID 853811
cis-N-Tert-butylhexahydrophthalamic acid
CID 853813
2-Acetamido-2-cyclohexylacetic acid
CID 9794212
3-Cyclohexyl-2-acetamidopropanoic acid
CID 10965857
(2R)-2-amino-2-cyclohexylpropanoic acid
CID 11240741
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclohexylpropanoic acid
CID 20814412

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-cyclohexylbutanoic acid?
The IUPAC name of (2R)-2-acetamido-2-cyclohexylbutanoic acid (CID 69419169) is (2R)-2-acetamido-2-cyclohexylbutanoic acid.
What is the SMILES notation for (2R)-2-acetamido-2-cyclohexylbutanoic acid?
The canonical SMILES for (2R)-2-acetamido-2-cyclohexylbutanoic acid is CC[C@](NC(C)=O)(C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-acetamido-2-cyclohexylbutanoic acid?
The InChIKey is HKWHXKWOVOLGSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-12(11(15)16,13-9(2)14)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-cyclohexylbutanoic acid?
(2R)-2-acetamido-2-cyclohexylbutanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-cyclohexylbutanoic acid is sourced from PubChem (CID 69419169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).