3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid

C13H16ClN3O5 — CID 162789632

IUPAC3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid
SMILESO=C(NC(Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)O)C1CCCC1
InChIInChI=1S/C13H16ClN3O5/c14-8-5-17(13(22)16-11(8)19)6-9(12(20)21)15-10(18)7-3-1-2-4-7/h5,7,9H,1-4,6H2,(H,15,18)(H,20,21)(H,16,19,22)
InChIKeyAUNUIXVURWGNJE-UHFFFAOYSA-N
MW329.74 g/mol
LogP-0.05
Rot. Bonds5

About 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid

3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid (PubChem CID 162789632) has the molecular formula C13H16ClN3O5 and a molecular weight of 329.74 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid
PubChem CID162789632
Molecular FormulaC13H16ClN3O5
Molecular Weight329.74 g/mol
Exact Mass329.08
IUPAC Name3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid
SMILESO=C(NC(Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)O)C1CCCC1
InChIInChI=1S/C13H16ClN3O5/c14-8-5-17(13(22)16-11(8)19)6-9(12(20)21)15-10(18)7-3-1-2-4-7/h5,7,9H,1-4,6H2,(H,15,18)(H,20,21)(H,16,19,22)
InChIKeyAUNUIXVURWGNJE-UHFFFAOYSA-N
XLogP-0.05
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic 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 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid?
The IUPAC name of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid (CID 162789632) is 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid.
What is the SMILES notation for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid?
The canonical SMILES for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid is O=C(NC(Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)O)C1CCCC1.
What is the InChIKey of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid?
The InChIKey is AUNUIXVURWGNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O5/c14-8-5-17(13(22)16-11(8)19)6-9(12(20)21)15-10(18)7-3-1-2-4-7/h5,7,9H,1-4,6H2,(H,15,18)(H,20,21)(H,16,19,22).
What are the key properties of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid?
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid has a molecular weight of 329.74 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid is sourced from PubChem (CID 162789632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).