1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid

C14H21N3O2S — CID 79582690

IUPAC1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)nc(SCCC2CCCC2(N)C(=O)O)n1
InChIInChI=1S/C14H21N3O2S/c1-9-8-10(2)17-13(16-9)20-7-5-11-4-3-6-14(11,15)12(18)19/h8,11H,3-7,15H2,1-2H3,(H,18,19)
InChIKeyQZUSGQQDWYQWBR-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.16
Rot. Bonds5

About 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid (PubChem CID 79582690) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid
PubChem CID79582690
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)nc(SCCC2CCCC2(N)C(=O)O)n1
InChIInChI=1S/C14H21N3O2S/c1-9-8-10(2)17-13(16-9)20-7-5-11-4-3-6-14(11,15)12(18)19/h8,11H,3-7,15H2,1-2H3,(H,18,19)
InChIKeyQZUSGQQDWYQWBR-UHFFFAOYSA-N
XLogP2.16
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic 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-((4,6-Dimethylpyrimidin-2-yl)thio)hexanoic acid
CID 2928993
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoic acid
CID 1972383
(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoic acid
CID 1972385
6-(4,6-Dimethylpyrimidin-2-yl)sulfanylhexanoic acid
CID 9943024
2-Amino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanoic acid
CID 55057565
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylcycloheptane-1-carboxylic acid
CID 55181485
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-2-(5-methyl-2-propan-2-ylcyclohexyl)acetate
CID 57374380
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
CID 57374381
1-[(4,6-Dimethylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 61289526
6-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(methylamino)hexanoic acid
CID 62304306
6-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylhexanoic acid
CID 62304478
Methyl 2-amino-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylhexanoate
CID 62304479

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid (CID 79582690) is 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid is Cc1cc(C)nc(SCCC2CCCC2(N)C(=O)O)n1.
What is the InChIKey of 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QZUSGQQDWYQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-8-10(2)17-13(16-9)20-7-5-11-4-3-6-14(11,15)12(18)19/h8,11H,3-7,15H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79582690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).