propyl 3-(cyclohexanecarbonylamino)propanoate

C13H23NO3 — CID 91714293

IUPACpropyl 3-(cyclohexanecarbonylamino)propanoate
SMILESCCCOC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-2-10-17-12(15)8-9-14-13(16)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,14,16)
InChIKeyGHQRLSXSUSRJEH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds6

About propyl 3-(cyclohexanecarbonylamino)propanoate

propyl 3-(cyclohexanecarbonylamino)propanoate (PubChem CID 91714293) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is propyl 3-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namepropyl 3-(cyclohexanecarbonylamino)propanoate
PubChem CID91714293
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namepropyl 3-(cyclohexanecarbonylamino)propanoate
SMILESCCCOC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-2-10-17-12(15)8-9-14-13(16)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,14,16)
InChIKeyGHQRLSXSUSRJEH-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
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-cyclohexylcarbonyl-, ethyl ester
CID 23553362
beta-Alanine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 61807198

Frequently Asked Questions

What is the IUPAC name of propyl 3-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of propyl 3-(cyclohexanecarbonylamino)propanoate (CID 91714293) is propyl 3-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for propyl 3-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for propyl 3-(cyclohexanecarbonylamino)propanoate is CCCOC(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of propyl 3-(cyclohexanecarbonylamino)propanoate?
The InChIKey is GHQRLSXSUSRJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-10-17-12(15)8-9-14-13(16)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,14,16).
What are the key properties of propyl 3-(cyclohexanecarbonylamino)propanoate?
propyl 3-(cyclohexanecarbonylamino)propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 91714293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).