methyl 3-[amino(cyclopentyl)methyl]benzoate

C14H19NO2 — CID 105493090

IUPACmethyl 3-[amino(cyclopentyl)methyl]benzoate
SMILESCOC(=O)c1cccc(C(N)C2CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-8-4-7-11(9-12)13(15)10-5-2-3-6-10/h4,7-10,13H,2-3,5-6,15H2,1H3
InChIKeyAKZRRXJTFWLSJN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds3

About methyl 3-[amino(cyclopentyl)methyl]benzoate

methyl 3-[amino(cyclopentyl)methyl]benzoate (PubChem CID 105493090) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-[amino(cyclopentyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[amino(cyclopentyl)methyl]benzoate
PubChem CID105493090
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-[amino(cyclopentyl)methyl]benzoate
SMILESCOC(=O)c1cccc(C(N)C2CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-8-4-7-11(9-12)13(15)10-5-2-3-6-10/h4,7-10,13H,2-3,5-6,15H2,1H3
InChIKeyAKZRRXJTFWLSJN-UHFFFAOYSA-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(cyclopentyl)methyl]benzoate
CID 171212684
methyl 3-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]benzoate;hydrochloride
CID 171270805
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
3-[amino(cyclobutyl)methyl]benzoic acid
CID 105457514
methyl 3-[[[(1R)-1-cyclohexylethyl]amino]-phenylmethyl]benzoate
CID 139837992
methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
CID 74889916
methyl 3-[amino(iodo)methyl]benzoate
CID 140522575
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl 3-[(1S)-1-amino-2,2-difluoroethyl]benzoate
CID 171250947
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
methyl 3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoate
CID 66511365
methyl 3-[(1R)-1-amino-2,2-difluoroethyl]benzoate;hydrochloride
CID 171244216

Frequently Asked Questions

What is the IUPAC name of methyl 3-[amino(cyclopentyl)methyl]benzoate?
The IUPAC name of methyl 3-[amino(cyclopentyl)methyl]benzoate (CID 105493090) is methyl 3-[amino(cyclopentyl)methyl]benzoate.
What is the SMILES notation for methyl 3-[amino(cyclopentyl)methyl]benzoate?
The canonical SMILES for methyl 3-[amino(cyclopentyl)methyl]benzoate is COC(=O)c1cccc(C(N)C2CCCC2)c1.
What is the InChIKey of methyl 3-[amino(cyclopentyl)methyl]benzoate?
The InChIKey is AKZRRXJTFWLSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)12-8-4-7-11(9-12)13(15)10-5-2-3-6-10/h4,7-10,13H,2-3,5-6,15H2,1H3.
What are the key properties of methyl 3-[amino(cyclopentyl)methyl]benzoate?
methyl 3-[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 3-[amino(cyclopentyl)methyl]benzoate is sourced from PubChem (CID 105493090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).