trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid

C13H16ClNO2 — CID 125181100

IUPACtrans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)CCC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13(10,15)12(16)17/h3-6,10H,1-2,7-8,15H2,(H,16,17)/t10-,13+/m0/s1
InChIKeyWPJVOBZPHHIKRY-GXFFZTMASA-N
MW253.73 g/mol
LogP2.46
Rot. Bonds3

About trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid

trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 125181100) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID125181100
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Nametrans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)CCC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13(10,15)12(16)17/h3-6,10H,1-2,7-8,15H2,(H,16,17)/t10-,13+/m0/s1
InChIKeyWPJVOBZPHHIKRY-GXFFZTMASA-N
XLogP2.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-1-(prop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 166410332
2-[(4-chlorophenyl)methyl]-1-[(3-methyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 166317738
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 114792963
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 103289705
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
CID 61382478
cis-methyl (1R,2R)-1-amino-2-benzylcyclobutane-1-carboxylate
CID 129418563
1-amino-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylic acid
CID 79588132
1-[(4-chlorophenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65402506
1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene
CID 176717055
(2-amino-1-methylcyclopentyl)-(4-chlorophenyl)methanone
CID 116607206

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid (CID 125181100) is trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid is N[C@]1(C(=O)O)CCC[C@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is WPJVOBZPHHIKRY-GXFFZTMASA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13(10,15)12(16)17/h3-6,10H,1-2,7-8,15H2,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid?
trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125181100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).