2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid

C13H17N3O3S — CID 130422198

IUPAC2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid
SMILESCSc1ncc(NCC(=O)O)c(C(=O)C2CCCC2)n1
InChIInChI=1S/C13H17N3O3S/c1-20-13-15-6-9(14-7-10(17)18)11(16-13)12(19)8-4-2-3-5-8/h6,8,14H,2-5,7H2,1H3,(H,17,18)
InChIKeyOGCLBPWQZJNENF-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.07
Rot. Bonds6

About 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid

2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid (PubChem CID 130422198) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid
PubChem CID130422198
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid
SMILESCSc1ncc(NCC(=O)O)c(C(=O)C2CCCC2)n1
InChIInChI=1S/C13H17N3O3S/c1-20-13-15-6-9(14-7-10(17)18)11(16-13)12(19)8-4-2-3-5-8/h6,8,14H,2-5,7H2,1H3,(H,17,18)
InChIKeyOGCLBPWQZJNENF-UHFFFAOYSA-N
XLogP2.07
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid with MolForge

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Related Compounds

5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 64911102
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 54945742
5-chloro-N-[(1R,2S)-2-methylcyclohexyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51928172
5-(3-carboxyprop-1-enyl)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 170484133
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812660
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 43356366
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
cyclopentyl-(6-methyl-3-phenylmethoxy-2-pyridinyl)methanone
CID 161157461
5-[3-(methylamino)prop-1-enyl]-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 169474155
cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid
CID 174839312
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 102684235
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid (CID 130422198) is 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid is CSc1ncc(NCC(=O)O)c(C(=O)C2CCCC2)n1.
What is the InChIKey of 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid?
The InChIKey is OGCLBPWQZJNENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-20-13-15-6-9(14-7-10(17)18)11(16-13)12(19)8-4-2-3-5-8/h6,8,14H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid?
2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid has a molecular weight of 295.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopentanecarbonyl)-2-methylsulfanylpyrimidin-5-yl]amino]acetic acid is sourced from PubChem (CID 130422198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).