3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C10H13N3O3 — CID 136959161

IUPAC3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(11-5-12-9)13-7-2-1-6(3-7)10(15)16/h4-7H,1-3H2,(H,15,16)(H2,11,12,13,14)
InChIKeyPPZXOIJWXXOGQH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds3

About 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136959161) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136959161
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(11-5-12-9)13-7-2-1-6(3-7)10(15)16/h4-7H,1-3H2,(H,15,16)(H2,11,12,13,14)
InChIKeyPPZXOIJWXXOGQH-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136959161) is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(Nc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PPZXOIJWXXOGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-4-8(11-5-12-9)13-7-2-1-6(3-7)10(15)16/h4-7H,1-3H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136959161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).