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

C12H15N3O5 — CID 43172487

IUPAC1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8-5-7(13-11(20)14-8)6-9(17)15-12(10(18)19)3-1-2-4-12/h5H,1-4,6H2,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeyZJTHKKFCZWJBCR-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.88
Rot. Bonds4

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

1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43172487) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43172487
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8-5-7(13-11(20)14-8)6-9(17)15-12(10(18)19)3-1-2-4-12/h5H,1-4,6H2,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeyZJTHKKFCZWJBCR-UHFFFAOYSA-N
XLogP-0.88
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172037
1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43172473
2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43172585
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618829
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517178
2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid
CID 64671426
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812467
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79806622
2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79846299
1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81157684
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104594572

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43172487) is 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZJTHKKFCZWJBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8-5-7(13-11(20)14-8)6-9(17)15-12(10(18)19)3-1-2-4-12/h5H,1-4,6H2,(H,15,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43172487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).