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

C14H19NO2 — CID 171212684

IUPACmethyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
SMILESCOC(=O)c1ccc([C@H](N)C2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-8-6-11(7-9-12)13(15)10-4-2-3-5-10/h6-10,13H,2-5,15H2,1H3/t13-/m1/s1
InChIKeyJAOQLOZVBDDTAT-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds3

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

methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate (PubChem CID 171212684) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
PubChem CID171212684
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
SMILESCOC(=O)c1ccc([C@H](N)C2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-8-6-11(7-9-12)13(15)10-4-2-3-5-10/h6-10,13H,2-5,15H2,1H3/t13-/m1/s1
InChIKeyJAOQLOZVBDDTAT-CYBMUJFWSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
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
methyl 4-[amino(iodo)methyl]benzoate
CID 140524482
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride
CID 171211078
methyl 4-[(1R)-2-cyclopropyl-1-hydroxyethyl]benzoate
CID 129406904
methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
ethyl 4-[(R)-cyclohexyl(hydroxy)methyl]benzoate
CID 45112645

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate?
The IUPAC name of methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate (CID 171212684) is methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate?
The canonical SMILES for methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate is COC(=O)c1ccc([C@H](N)C2CCCC2)cc1.
What is the InChIKey of methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate?
The InChIKey is JAOQLOZVBDDTAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)12-8-6-11(7-9-12)13(15)10-4-2-3-5-10/h6-10,13H,2-5,15H2,1H3/t13-/m1/s1.
What are the key properties of methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate?
methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.66, 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(cyclopentyl)methyl]benzoate is sourced from PubChem (CID 171212684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).