3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid

C11H17N3O5 — CID 81066774

IUPAC3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CN1C(=O)CNC1=O)CC(=O)O
InChIInChI=1S/C11H17N3O5/c1-2-7(3-10(17)18)4-12-8(15)6-14-9(16)5-13-11(14)19/h7H,2-6H2,1H3,(H,12,15)(H,13,19)(H,17,18)
InChIKeyKKVXQRSQFMFQNG-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.84
Rot. Bonds7

About 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid

3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 81066774) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID81066774
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CN1C(=O)CNC1=O)CC(=O)O
InChIInChI=1S/C11H17N3O5/c1-2-7(3-10(17)18)4-12-8(15)6-14-9(16)5-13-11(14)19/h7H,2-6H2,1H3,(H,12,15)(H,13,19)(H,17,18)
InChIKeyKKVXQRSQFMFQNG-UHFFFAOYSA-N
XLogP-0.84
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725511
2-(2,5-dioxoimidazolidin-1-yl)-N-(2,2-diphenylethyl)acetamide
CID 86975393
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357583
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 113247255
methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60638121
2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113956
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432907
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid (CID 81066774) is 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid is CCC(CNC(=O)CN1C(=O)CNC1=O)CC(=O)O.
What is the InChIKey of 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is KKVXQRSQFMFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-7(3-10(17)18)4-12-8(15)6-14-9(16)5-13-11(14)19/h7H,2-6H2,1H3,(H,12,15)(H,13,19)(H,17,18).
What are the key properties of 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid?
3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).