1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid

C15H20ClNO2S — CID 103289705

IUPAC1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC1CCSCc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2S/c16-13-6-2-1-4-11(13)10-20-9-7-12-5-3-8-15(12,17)14(18)19/h1-2,4,6,12H,3,5,7-10,17H2,(H,18,19)
InChIKeyONLDITZNRYOYFQ-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.55
Rot. Bonds6

About 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 103289705) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
PubChem CID103289705
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC1CCSCc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2S/c16-13-6-2-1-4-11(13)10-20-9-7-12-5-3-8-15(12,17)14(18)19/h1-2,4,6,12H,3,5,7-10,17H2,(H,18,19)
InChIKeyONLDITZNRYOYFQ-UHFFFAOYSA-N
XLogP3.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582691
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588183
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 114792963
1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588358
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
N-(3-aminophenyl)-3-[(2-chlorophenyl)methylsulfanyl]propanamide
CID 103288410
trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 125181100
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103291093

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid (CID 103289705) is 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCCC1CCSCc1ccccc1Cl.
What is the InChIKey of 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ONLDITZNRYOYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c16-13-6-2-1-4-11(13)10-20-9-7-12-5-3-8-15(12,17)14(18)19/h1-2,4,6,12H,3,5,7-10,17H2,(H,18,19).
What are the key properties of 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 313.85 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103289705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).