1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C12H17N3O5 — CID 115432907

IUPAC1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CN1C(=O)CNC1=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N3O5/c16-8(6-15-9(17)5-13-11(15)20)14-7-12(10(18)19)3-1-2-4-12/h1-7H2,(H,13,20)(H,14,16)(H,18,19)
InChIKeyYFPVIMURQGELDA-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.70
Rot. Bonds5

About 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115432907) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115432907
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CN1C(=O)CNC1=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N3O5/c16-8(6-15-9(17)5-13-11(15)20)14-7-12(10(18)19)3-1-2-4-12/h1-7H2,(H,13,20)(H,14,16)(H,18,19)
InChIKeyYFPVIMURQGELDA-UHFFFAOYSA-N
XLogP-0.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113956
2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 113247255
1-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362099
1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433571
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367142
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078
1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291273
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357583
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 81367128

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115432907) is 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(CN1C(=O)CNC1=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YFPVIMURQGELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-8(6-15-9(17)5-13-11(15)20)14-7-12(10(18)19)3-1-2-4-12/h1-7H2,(H,13,20)(H,14,16)(H,18,19).
What are the key properties of 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115432907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).