1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 136958609

IUPAC1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCc1nc(NC2(C(=O)O)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-2-8-13-9(7-10(16)14-8)15-12(11(17)18)5-3-4-6-12/h7H,2-6H2,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyQOGBJPNSISPYQO-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.14
Rot. Bonds4

About 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136958609) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136958609
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCc1nc(NC2(C(=O)O)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-2-8-13-9(7-10(16)14-8)15-12(11(17)18)5-3-4-6-12/h7H,2-6H2,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyQOGBJPNSISPYQO-UHFFFAOYSA-N
XLogP1.14
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792242
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958441
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958467
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958468

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136958609) is 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is CCc1nc(NC2(C(=O)O)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QOGBJPNSISPYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-8-13-9(7-10(16)14-8)15-12(11(17)18)5-3-4-6-12/h7H,2-6H2,1H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136958609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).