cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate

C20H23NO2 — CID 101135573

IUPACcis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCC[C@H]1NCc1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(23-15-17-10-5-2-6-11-17)18-12-7-13-19(18)21-14-16-8-3-1-4-9-16/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19+/m0/s1
InChIKeyIOJCTRIIGCQJBL-RBUKOAKNSA-N
MW309.41 g/mol
LogP3.69
Rot. Bonds6

About cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate

cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate (PubChem CID 101135573) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
PubChem CID101135573
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namecis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCC[C@H]1NCc1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(23-15-17-10-5-2-6-11-17)18-12-7-13-19(18)21-14-16-8-3-1-4-9-16/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19+/m0/s1
InChIKeyIOJCTRIIGCQJBL-RBUKOAKNSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
CID 66658187
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
trans-benzyl (1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 66881534
benzyl 2-(2-iodocyclopentyl)cyclopentane-1-carboxylate
CID 134419696
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683

Frequently Asked Questions

What is the IUPAC name of cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate (CID 101135573) is cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate is O=C(OCc1ccccc1)[C@H]1CCC[C@H]1NCc1ccccc1.
What is the InChIKey of cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate?
The InChIKey is IOJCTRIIGCQJBL-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23-15-17-10-5-2-6-11-17)18-12-7-13-19(18)21-14-16-8-3-1-4-9-16/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19+/m0/s1.
What are the key properties of cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate?
cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 101135573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).