propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

C13H23NO3 — CID 91692154

IUPACpropyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-3-9-17-12(15)10-14(2)13(16)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyJIBHYYAKGHVNNO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds5

About propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (PubChem CID 91692154) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
PubChem CID91692154
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namepropyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-3-9-17-12(15)10-14(2)13(16)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyJIBHYYAKGHVNNO-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

2-Ethyl-1-(4-morpholinyl)-1-hexanone
CID 98991
Cyclohexanecarboxylic acid, morpholide
CID 531815
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
ST089299
CID 344675
Methyl 2-(cyclohexylformamido)acetate
CID 558269
L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
methyl (cyclohexanecarbonyl)-L-alaninate
CID 2476646
2-(N-methylcyclohexanecarboxamido)acetic acid
CID 16773468
(s)-Methyl 2-(3-butyl-2-oxopyrrolidin-1-yl)acetate
CID 58813108
Sarcosine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 55003289
Sarcosine, N-(cyclopentylcarbonyl)-, ethyl ester
CID 61597736
Sarcosine, n-hexanoyl-, ethyl ester
CID 61597932

Frequently Asked Questions

What is the IUPAC name of propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The IUPAC name of propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (CID 91692154) is propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The canonical SMILES for propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is CCCOC(=O)CN(C)C(=O)C1CCCCC1.
What is the InChIKey of propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The InChIKey is JIBHYYAKGHVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-9-17-12(15)10-14(2)13(16)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).