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

C10H13N3O3 — CID 136958606

IUPAC1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCCC1
InChIInChI=1S/C10H13N3O3/c14-8-5-7(11-6-12-8)13-10(9(15)16)3-1-2-4-10/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)
InChIKeyBCVDSNWYULHTLZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.58
Rot. Bonds3

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

1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136958606) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136958606
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCCC1
InChIInChI=1S/C10H13N3O3/c14-8-5-7(11-6-12-8)13-10(9(15)16)3-1-2-4-10/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)
InChIKeyBCVDSNWYULHTLZ-UHFFFAOYSA-N
XLogP0.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136958606) is 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]cn2)CCCC1.
What is the InChIKey of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BCVDSNWYULHTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-5-7(11-6-12-8)13-10(9(15)16)3-1-2-4-10/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136958606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).