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

C13H19N3O5 — CID 60825266

IUPAC2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESCN1CC(=O)N(CC(=O)N(CC(=O)O)C2CCCC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-14-6-10(17)16(13(14)21)7-11(18)15(8-12(19)20)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,19,20)
InChIKeyRWVXPIJGTVPOLT-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.26
Rot. Bonds5

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

2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (PubChem CID 60825266) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
PubChem CID60825266
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESCN1CC(=O)N(CC(=O)N(CC(=O)O)C2CCCC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-14-6-10(17)16(13(14)21)7-11(18)15(8-12(19)20)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,19,20)
InChIKeyRWVXPIJGTVPOLT-UHFFFAOYSA-N
XLogP-0.26
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60826612
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286
2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60827223
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66263121
methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate
CID 80718920
4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60826752
2-[cyclopentyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669041
2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
CID 119195419
2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
CID 60825419
2-[cyclopentyl-[2-(4,7,10-triacetyloxy-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetic acid
CID 172771892

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (CID 60825266) is 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is CN1CC(=O)N(CC(=O)N(CC(=O)O)C2CCCC2)C1=O.
What is the InChIKey of 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is RWVXPIJGTVPOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-14-6-10(17)16(13(14)21)7-11(18)15(8-12(19)20)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60825266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).