1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C14H19N3O4 — CID 43172484

IUPAC1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-13(21)15-8)7-11(18)17-14(12(19)20)5-3-4-6-14/h3-7H2,1-2H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyFHTXBBWNCYWLLX-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.44
Rot. Bonds4

About 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43172484) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43172484
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-13(21)15-8)7-11(18)17-14(12(19)20)5-3-4-6-14/h3-7H2,1-2H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyFHTXBBWNCYWLLX-UHFFFAOYSA-N
XLogP0.44
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43360537
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid
CID 43469842
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618864
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 61261505
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylpentanoic acid
CID 62041570
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517010
3-[4,6-Dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 64686418
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid
CID 79792961
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79813954
2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79844641
1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158895
1-{[(6-Tert-butyl-2-oxo-2,3-dihydropyrimidin-4-yl)carbonyl]amino}cyclopentanecarboxylic acid
CID 86284505

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43172484) is 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FHTXBBWNCYWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-10(9(2)16-13(21)15-8)7-11(18)17-14(12(19)20)5-3-4-6-14/h3-7H2,1-2H3,(H,17,18)(H,19,20)(H,15,16,21).
What are the key properties of 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43172484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).