2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid

C14H18N2O3S — CID 60825582

IUPAC2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid
SMILESCSc1ncccc1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H18N2O3S/c1-20-13-11(7-4-8-15-13)14(19)16(9-12(17)18)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyMLRSBTIOGGPVGJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.27
Rot. Bonds5

About 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid

2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 60825582) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid
PubChem CID60825582
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid
SMILESCSc1ncccc1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H18N2O3S/c1-20-13-11(7-4-8-15-13)14(19)16(9-12(17)18)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyMLRSBTIOGGPVGJ-UHFFFAOYSA-N
XLogP2.27
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid (CID 60825582) is 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid is CSc1ncccc1C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is MLRSBTIOGGPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20-13-11(7-4-8-15-13)14(19)16(9-12(17)18)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid?
2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 294.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 60825582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).