1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H13N3O5 — CID 43341192

IUPAC1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c15-7-6(5-12-10(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)
InChIKeyLKQKPKVQOFVPDO-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.81
Rot. Bonds3

About 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43341192) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43341192
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c15-7-6(5-12-10(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)
InChIKeyLKQKPKVQOFVPDO-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

6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 28773268
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773276
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773278
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 28773324
(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 28773326
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 28773336
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28773374
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162947
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43163002
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163109
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43163206
1-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43169544

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43341192) is 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LKQKPKVQOFVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7-6(5-12-10(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-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidine-5-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-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43341192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).