3-(4H-pyrimidine-3-carbonylamino)propanoic acid

C8H11N3O3 — CID 173207702

IUPAC3-(4H-pyrimidine-3-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)N1C=NC=CC1
InChIInChI=1S/C8H11N3O3/c12-7(13)2-4-10-8(14)11-5-1-3-9-6-11/h1,3,6H,2,4-5H2,(H,10,14)(H,12,13)
InChIKeyPLMWTNCNSUXZFP-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.03
Rot. Bonds3

About 3-(4H-pyrimidine-3-carbonylamino)propanoic acid

3-(4H-pyrimidine-3-carbonylamino)propanoic acid (PubChem CID 173207702) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4H-pyrimidine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4H-pyrimidine-3-carbonylamino)propanoic acid
PubChem CID173207702
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(4H-pyrimidine-3-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)N1C=NC=CC1
InChIInChI=1S/C8H11N3O3/c12-7(13)2-4-10-8(14)11-5-1-3-9-6-11/h1,3,6H,2,4-5H2,(H,10,14)(H,12,13)
InChIKeyPLMWTNCNSUXZFP-UHFFFAOYSA-N
XLogP0.03
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4H-pyrimidine-3-carbonylamino)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-(4H-pyrimidine-3-carbonylamino)propanoic acid?
The IUPAC name of 3-(4H-pyrimidine-3-carbonylamino)propanoic acid (CID 173207702) is 3-(4H-pyrimidine-3-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(4H-pyrimidine-3-carbonylamino)propanoic acid?
The canonical SMILES for 3-(4H-pyrimidine-3-carbonylamino)propanoic acid is O=C(O)CCNC(=O)N1C=NC=CC1.
What is the InChIKey of 3-(4H-pyrimidine-3-carbonylamino)propanoic acid?
The InChIKey is PLMWTNCNSUXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7(13)2-4-10-8(14)11-5-1-3-9-6-11/h1,3,6H,2,4-5H2,(H,10,14)(H,12,13).
What are the key properties of 3-(4H-pyrimidine-3-carbonylamino)propanoic acid?
3-(4H-pyrimidine-3-carbonylamino)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-pyrimidine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 173207702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).