methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate

C13H23NO3 — CID 13496247

IUPACmethyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-10(13(16)17-3)9-14(11(2)15)12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyDNQBTBPRHBFXSO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds4

About methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate

methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate (PubChem CID 13496247) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate
PubChem CID13496247
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-10(13(16)17-3)9-14(11(2)15)12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyDNQBTBPRHBFXSO-UHFFFAOYSA-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

Methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 15564945
Methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate
CID 13496251
Methyl 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 84345711
Ethyl 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 84347516
Methyl 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoate
CID 84355860
Ethyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 9837476
Methyl 3-[cyclohexyl(methyl)amino]propanoate
CID 14011698
Butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
[Acetyl(cyclohexyl)amino]methyl 2,2-dimethylpropanoate
CID 85987308
N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide
CID 118970784
2-Methylpropyl 3-[cyclohexyl(ethoxycarbonyl)amino]butanoate
CID 141761512
N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide
CID 145047795

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate (CID 13496247) is methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate is COC(=O)C(C)CN(C(C)=O)C1CCCCC1.
What is the InChIKey of methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate?
The InChIKey is DNQBTBPRHBFXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(13(16)17-3)9-14(11(2)15)12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3.
What are the key properties of methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate?
methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate 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 methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate is sourced from PubChem (CID 13496247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).