1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O3S — CID 43351170

IUPAC1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1ncccc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H16N2O3S/c1-19-11-9(5-4-8-14-11)10(16)15-13(12(17)18)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDOVLQRIMJUUMDO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.93
Rot. Bonds4

About 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351170) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351170
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1ncccc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H16N2O3S/c1-19-11-9(5-4-8-14-11)10(16)15-13(12(17)18)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDOVLQRIMJUUMDO-UHFFFAOYSA-N
XLogP1.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylsulfanylpyridine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 115291465
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
CID 163867210
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 104742633

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43351170) is 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CSc1ncccc1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DOVLQRIMJUUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-19-11-9(5-4-8-14-11)10(16)15-13(12(17)18)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).