cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride

C13H18ClNO2 — CID 163396077

IUPACcis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCl.N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2.ClH/c14-12-8-4-7-11(12)13(15)16-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,14H2;1H/t11-,12+;/m0./s1
InChIKeyRHSTXMZVLICGJK-ZVWHLABXSA-N
MW255.74 g/mol
LogP2.28
Rot. Bonds3

About cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride

cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride (PubChem CID 163396077) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
PubChem CID163396077
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Namecis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCl.N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2.ClH/c14-12-8-4-7-11(12)13(15)16-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,14H2;1H/t11-,12+;/m0./s1
InChIKeyRHSTXMZVLICGJK-ZVWHLABXSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
CID 101135573
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
cis-(3,5-diaminophenyl)methyl (1S,2R)-2-aminocyclohexane-1-carboxylate
CID 170211260
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
CID 64816874
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393

Frequently Asked Questions

What is the IUPAC name of cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride (CID 163396077) is cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride is Cl.N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1.
What is the InChIKey of cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The InChIKey is RHSTXMZVLICGJK-ZVWHLABXSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c14-12-8-4-7-11(12)13(15)16-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,14H2;1H/t11-,12+;/m0./s1.
What are the key properties of cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride?
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.28, 3 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-aminocyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 163396077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).