1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C13H17N3O5 — CID 81367142

IUPAC1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O5/c17-9-3-6-16(12(21)15-9)7-10(18)14-8-13(11(19)20)4-1-2-5-13/h3,6H,1-2,4-5,7-8H2,(H,14,18)(H,19,20)(H,15,17,21)
InChIKeySOAPDJQDKVEODJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.70
Rot. Bonds5

About 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81367142) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81367142
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O5/c17-9-3-6-16(12(21)15-9)7-10(18)14-8-13(11(19)20)4-1-2-5-13/h3,6H,1-2,4-5,7-8H2,(H,14,18)(H,19,20)(H,15,17,21)
InChIKeySOAPDJQDKVEODJ-UHFFFAOYSA-N
XLogP-0.70
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]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

Related Compounds

1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311878
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291609
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 81367128
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432907
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
1-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362099

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 81367142) is 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SOAPDJQDKVEODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-9-3-6-16(12(21)15-9)7-10(18)14-8-13(11(19)20)4-1-2-5-13/h3,6H,1-2,4-5,7-8H2,(H,14,18)(H,19,20)(H,15,17,21).
What are the key properties of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81367142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).