3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

C9H11N3O5 — CID 43354912

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c13-6(10-2-1-8(15)16)3-5-4-7(14)12-9(17)11-5/h4H,1-3H2,(H,10,13)(H,15,16)(H2,11,12,14,17)
InChIKeyRHRRTVCTXQNWAS-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.80
Rot. Bonds5

About 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (PubChem CID 43354912) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
PubChem CID43354912
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c13-6(10-2-1-8(15)16)3-5-4-7(14)12-9(17)11-5/h4H,1-3H2,(H,10,13)(H,15,16)(H2,11,12,14,17)
InChIKeyRHRRTVCTXQNWAS-UHFFFAOYSA-N
XLogP-1.80
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]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

Related Compounds

Uracil-4-acetic acid
CID 73271
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
3-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanoic acid
CID 1272738
N-butyl-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 2149962
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 114153129
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
CID 60704693
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)acetic acid, oxamethane
CID 18529801
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171702
6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43352997

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (CID 43354912) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The InChIKey is RHRRTVCTXQNWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-6(10-2-1-8(15)16)3-5-4-7(14)12-9(17)11-5/h4H,1-3H2,(H,10,13)(H,15,16)(H2,11,12,14,17).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43354912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).