cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate

C16H23NO3 — CID 174496709

IUPACcyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CN)C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-19-13-9-7-12(8-10-13)15(11-17)16(18)20-14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,17H2,1H3
InChIKeyBEOVPUJKJISVGQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.61
Rot. Bonds5

About cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate

cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate (PubChem CID 174496709) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate
PubChem CID174496709
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namecyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CN)C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-19-13-9-7-12(8-10-13)15(11-17)16(18)20-14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,17H2,1H3
InChIKeyBEOVPUJKJISVGQ-UHFFFAOYSA-N
XLogP2.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
cyclohexyl 2-(4-methoxyanilino)propanoate
CID 175094894
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
CID 175065739
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
2,2,2-trichloroethyl 2-cycloheptyl-2-(4-methoxyphenyl)acetate
CID 132507385
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
CID 112511397
cyclododecyl 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetate
CID 170553129

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate?
The IUPAC name of cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate (CID 174496709) is cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate is COc1ccc(C(CN)C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate?
The InChIKey is BEOVPUJKJISVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-13-9-7-12(8-10-13)15(11-17)16(18)20-14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,17H2,1H3.
What are the key properties of cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate?
cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 174496709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).