methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride

C14H20ClNO2 — CID 171211078

IUPACmethyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)12-9-5-4-8-11(12)13(15)10-6-2-3-7-10;/h4-5,8-10,13H,2-3,6-7,15H2,1H3;1H/t13-;/m1./s1
InChIKeyFJLUIMNSEDKCCY-BTQNPOSSSA-N
MW269.77 g/mol
LogP3.09
Rot. Bonds3

About methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride

methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride (PubChem CID 171211078) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride
PubChem CID171211078
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)12-9-5-4-8-11(12)13(15)10-6-2-3-7-10;/h4-5,8-10,13H,2-3,6-7,15H2,1H3;1H/t13-;/m1./s1
InChIKeyFJLUIMNSEDKCCY-BTQNPOSSSA-N
XLogP3.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(S)-amino(cyclobutyl)methyl]benzoate
CID 171230674
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830
methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
methyl 3-[amino(cyclopentyl)methyl]benzoate
CID 105493090
methyl 2-[(1S)-1-amino-2-fluoroethyl]benzoate
CID 171211043
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
methyl 2-[(1S)-1-amino-3-hydroxypropyl]benzoate;hydrochloride
CID 171230700
methyl 2-[(1S)-1,3-diaminopropyl]benzoate
CID 171230647
methyl 2-(1-aminoprop-2-enyl)benzoate
CID 55273235

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride (CID 171211078) is methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride is COC(=O)c1ccccc1[C@H](N)C1CCCC1.Cl.
What is the InChIKey of methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride?
The InChIKey is FJLUIMNSEDKCCY-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-17-14(16)12-9-5-4-8-11(12)13(15)10-6-2-3-7-10;/h4-5,8-10,13H,2-3,6-7,15H2,1H3;1H/t13-;/m1./s1.
What are the key properties of methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride?
methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-amino(cyclopentyl)methyl]benzoate;hydrochloride is sourced from PubChem (CID 171211078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).