methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate

C15H21NO2 — CID 171212686

IUPACmethyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
SMILESCOC(=O)c1ccc([C@H](N)C2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h7-11,14H,2-6,16H2,1H3/t14-/m1/s1
InChIKeyGJJYGKAIYNABDA-CQSZACIVSA-N
MW247.34 g/mol
LogP3.05
Rot. Bonds3

About methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate

methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate (PubChem CID 171212686) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
PubChem CID171212686
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
SMILESCOC(=O)c1ccc([C@H](N)C2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h7-11,14H,2-6,16H2,1H3/t14-/m1/s1
InChIKeyGJJYGKAIYNABDA-CQSZACIVSA-N
XLogP3.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate 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

methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
methyl 4-[(R)-amino(oxan-4-yl)methyl]benzoate;hydrochloride
CID 171250591
methyl 3-[amino(cyclopentyl)methyl]benzoate
CID 105493090
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
CID 171198147
cyclohexylmethanediol;4-methoxycarbonylbenzoic acid
CID 175571680
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
ethyl 4-[(R)-cyclohexyl(hydroxy)methyl]benzoate
CID 45112645
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methyl 4-[amino(iodo)methyl]benzoate
CID 140524482
methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride
CID 171211078
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
methyl 3-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]benzoate;hydrochloride
CID 171270805

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate?
The IUPAC name of methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate (CID 171212686) is methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate?
The canonical SMILES for methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate is COC(=O)c1ccc([C@H](N)C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate?
The InChIKey is GJJYGKAIYNABDA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h7-11,14H,2-6,16H2,1H3/t14-/m1/s1.
What are the key properties of methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate?
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate has a molecular weight of 247.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate is sourced from PubChem (CID 171212686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).