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

C12H17N3O5 — CID 60826612

IUPAC2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1C(=O)CNC1=O)C1CCCC1
InChIInChI=1S/C12H17N3O5/c16-9-5-13-12(20)15(9)6-10(17)14(7-11(18)19)8-3-1-2-4-8/h8H,1-7H2,(H,13,20)(H,18,19)
InChIKeyYZYRQHCXGWZFBD-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.61
Rot. Bonds5

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

2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (PubChem CID 60826612) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
PubChem CID60826612
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1C(=O)CNC1=O)C1CCCC1
InChIInChI=1S/C12H17N3O5/c16-9-5-13-12(20)15(9)6-10(17)14(7-11(18)19)8-3-1-2-4-8/h8H,1-7H2,(H,13,20)(H,18,19)
InChIKeyYZYRQHCXGWZFBD-UHFFFAOYSA-N
XLogP-0.61
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate
CID 80718920
N-cyclopentyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 54994361
2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60825266
N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60827223
2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
CID 119195419
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247220
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid
CID 61162082
2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107435593
(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (CID 60826612) is 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CN1C(=O)CNC1=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is YZYRQHCXGWZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9-5-13-12(20)15(9)6-10(17)14(7-11(18)19)8-3-1-2-4-8/h8H,1-7H2,(H,13,20)(H,18,19).
What are the key properties of 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 283.28 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60826612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).