2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid

C14H21NO2S — CID 55006968

IUPAC2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
SMILESCc1ccsc1C(N)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H21NO2S/c1-10-4-7-18-13(10)11(15)8-14(9-12(16)17)5-2-3-6-14/h4,7,11H,2-3,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyGPWDMFIHYMWULS-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.48
Rot. Bonds5

About 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid

2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid (PubChem CID 55006968) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
PubChem CID55006968
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
SMILESCc1ccsc1C(N)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H21NO2S/c1-10-4-7-18-13(10)11(15)8-14(9-12(16)17)5-2-3-6-14/h4,7,11H,2-3,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyGPWDMFIHYMWULS-UHFFFAOYSA-N
XLogP3.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851424
2-[1-[2-amino-2-(2-bromo-4-methoxyphenyl)ethyl]cyclopentyl]acetic acid
CID 61070396
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
CID 60862171
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
2-[1-[2-(3,4-dibromothiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79601307
[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine
CID 116943916

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid (CID 55006968) is 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid is Cc1ccsc1C(N)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
The InChIKey is GPWDMFIHYMWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-4-7-18-13(10)11(15)8-14(9-12(16)17)5-2-3-6-14/h4,7,11H,2-3,5-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid has a molecular weight of 267.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 55006968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).