1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H13N3O5 — CID 43341202

IUPAC1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-7-5-6(12-10(19)13-7)8(16)14-11(9(17)18)3-1-2-4-11/h5H,1-4H2,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyLTUFXCYTWHYSQP-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.81
Rot. Bonds3

About 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43341202) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43341202
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-7-5-6(12-10(19)13-7)8(16)14-11(9(17)18)3-1-2-4-11/h5H,1-4H2,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyLTUFXCYTWHYSQP-UHFFFAOYSA-N
XLogP-0.81
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168017
N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114696355
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 103352581
1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176423
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
CID 174829099
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176410
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291699
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538832
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
1-[(2-oxo-3H-1,3-benzoxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67180461

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43341202) is 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LTUFXCYTWHYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7-5-6(12-10(19)13-7)8(16)14-11(9(17)18)3-1-2-4-11/h5H,1-4H2,(H,14,16)(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43341202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).