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

C10H13N3O3 — CID 136876810

IUPACcis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](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)/t6-,7+/m1/s1
InChIKeyPPZXOIJWXXOGQH-RQJHMYQMSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds3

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

cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136876810) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136876810
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namecis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](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)/t6-,7+/m1/s1
InChIKeyPPZXOIJWXXOGQH-RQJHMYQMSA-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

Analyze cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136876810) is cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](Nc2cc(=O)[nH]cn2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PPZXOIJWXXOGQH-RQJHMYQMSA-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)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-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 cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136876810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).