methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate

C14H19NO2 — CID 54515313

IUPACmethyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC(NCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-7-8-13(9-12)15-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13?/m0/s1
InChIKeyYMAGLDHAPLANLJ-UEWDXFNNSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds4

About methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate

methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate (PubChem CID 54515313) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
PubChem CID54515313
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC(NCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-7-8-13(9-12)15-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13?/m0/s1
InChIKeyYMAGLDHAPLANLJ-UEWDXFNNSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
CID 83993878
methyl 4-(benzylamino)oxolane-2-carboxylate
CID 170166126
methyl 4-(benzylamino)oxolane-2-carboxylate;hydrochloride
CID 170166125
methyl (1R,3R,4S)-4-hydroxy-3-phenylcyclohexane-1-carboxylate
CID 15806625
6-(benzylamino)-2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid
CID 22344476
ethyl (2S,4S)-4-(benzylamino)oxane-2-carboxylate
CID 171371464
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
N,3-dibenzylcyclopentan-1-amine
CID 123575298
ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
CID 175512442

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate (CID 54515313) is methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate is COC(=O)[C@H]1CCC(NCc2ccccc2)C1.
What is the InChIKey of methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate?
The InChIKey is YMAGLDHAPLANLJ-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)12-7-8-13(9-12)15-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13?/m0/s1.
What are the key properties of methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate?
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 54515313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).