ethyl 3-(cyclohexanecarbonylamino)propanoate

C12H21NO3 — CID 23553362

IUPACethyl 3-(cyclohexanecarbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)
InChIKeyYPTRFXLVRQUQMC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.64
Rot. Bonds5

About ethyl 3-(cyclohexanecarbonylamino)propanoate

ethyl 3-(cyclohexanecarbonylamino)propanoate (PubChem CID 23553362) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 3-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexanecarbonylamino)propanoate
PubChem CID23553362
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 3-(cyclohexanecarbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)
InChIKeyYPTRFXLVRQUQMC-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butoxypropyl)cyclohexanecarboxamide
CID 2289748
ST089299
CID 344675
beta-Alanine, N-caproyl-, ethyl ester
CID 46835677
Methyl 2-(cyclohexylformamido)acetate
CID 558269
beta-Alanine, N-capryloyl-, ethyl ester
CID 61807171
3-(Cyclohexylformamido)butanoic acid
CID 43092437
Methyl 3-[[3-[(3-methoxy-3-oxopropyl)carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 51095371
Tert-butyl 3-[(4,4-difluorocyclohexanecarbonyl)amino]propanoate
CID 177183344
Cyclohexanecarboxylic acid, 2-(acetylamino)-, methyl ester, cis-
CID 287394
N-(3-methoxypropyl)cyclohexanecarboxamide
CID 4191027
beta-Alanine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 61807198
beta-Alanine, N-cyclohexylcarbonyl-, propyl ester
CID 91714293

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of ethyl 3-(cyclohexanecarbonylamino)propanoate (CID 23553362) is ethyl 3-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclohexanecarbonylamino)propanoate is CCOC(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of ethyl 3-(cyclohexanecarbonylamino)propanoate?
The InChIKey is YPTRFXLVRQUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of ethyl 3-(cyclohexanecarbonylamino)propanoate?
ethyl 3-(cyclohexanecarbonylamino)propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 23553362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).