1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H17N3O4S — CID 43360256

IUPAC1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O4S/c1-7-8(10(21-2)15-12(20)14-7)9(17)16-13(11(18)19)5-3-4-6-13/h3-6H2,1-2H3,(H,16,17)(H,18,19)(H,14,15,20)
InChIKeyHSGVLLMKWZPMJQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.93
Rot. Bonds4

About 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43360256) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43360256
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O4S/c1-7-8(10(21-2)15-12(20)14-7)9(17)16-13(11(18)19)5-3-4-6-13/h3-6H2,1-2H3,(H,16,17)(H,18,19)(H,14,15,20)
InChIKeyHSGVLLMKWZPMJQ-UHFFFAOYSA-N
XLogP0.93
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43360516
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 43469818
2-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 43618892
4-methyl-4-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 62041784
N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 62517553
2-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 79793634
2-ethyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 79813300
2-[1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79843737
1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157565
(2S)-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 107144153

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43360256) is 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HSGVLLMKWZPMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7-8(10(21-2)15-12(20)14-7)9(17)16-13(11(18)19)5-3-4-6-13/h3-6H2,1-2H3,(H,16,17)(H,18,19)(H,14,15,20).
What are the key properties of 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43360256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).