ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate

C13H23NO3 — CID 69164951

IUPACethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)10(2)14(3)12(15)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyGHZJRFJOWZEONG-SNVBAGLBSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds4

About ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate

ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate (PubChem CID 69164951) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
PubChem CID69164951
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)10(2)14(3)12(15)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyGHZJRFJOWZEONG-SNVBAGLBSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide
CID 65018667
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
CID 77052808
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 4-[2-[cyclobutanecarbonyl(methyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674495
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
ethyl 4-[2-[cyclobutanecarbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679975
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate?
The IUPAC name of ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate (CID 69164951) is ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate is CCOC(=O)[C@@H](C)N(C)C(=O)C1CCCCC1.
What is the InChIKey of ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate?
The InChIKey is GHZJRFJOWZEONG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-17-13(16)10(2)14(3)12(15)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate?
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 69164951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).