3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H13N3O5 — CID 66031305

IUPAC3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-4-7(13-11(19)14-8)9(16)12-6-2-1-5(3-6)10(17)18/h4-6H,1-3H2,(H,12,16)(H,17,18)(H2,13,14,15,19)
InChIKeyGYWRWQORQMOYDJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.95
Rot. Bonds3

About 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66031305) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66031305
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-4-7(13-11(19)14-8)9(16)12-6-2-1-5(3-6)10(17)18/h4-6H,1-3H2,(H,12,16)(H,17,18)(H2,13,14,15,19)
InChIKeyGYWRWQORQMOYDJ-UHFFFAOYSA-N
XLogP-0.95
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 ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809516
2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid
CID 62690929
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042550
6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-ethylhexanoic acid
CID 64348414
6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylhexanoic acid
CID 64364104
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814515
3-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492665
(3S)-3-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494507
2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 65897009
2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-3-yl]acetic acid
CID 65945408
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 65998065
3-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030140

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66031305) is 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GYWRWQORQMOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-4-7(13-11(19)14-8)9(16)12-6-2-1-5(3-6)10(17)18/h4-6H,1-3H2,(H,12,16)(H,17,18)(H2,13,14,15,19).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).