2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid

C12H17N3O5 — CID 60827223

IUPAC2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESCC1(C)NC(=O)N(CC(=O)N(CC(=O)O)C2CC2)C1=O
InChIInChI=1S/C12H17N3O5/c1-12(2)10(19)15(11(20)13-12)5-8(16)14(6-9(17)18)7-3-4-7/h7H,3-6H2,1-2H3,(H,13,20)(H,17,18)
InChIKeyVYTXHZVKFAKZKZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.61
Rot. Bonds5

About 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (PubChem CID 60827223) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
PubChem CID60827223
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESCC1(C)NC(=O)N(CC(=O)N(CC(=O)O)C2CC2)C1=O
InChIInChI=1S/C12H17N3O5/c1-12(2)10(19)15(11(20)13-12)5-8(16)14(6-9(17)18)7-3-4-7/h7H,3-6H2,1-2H3,(H,13,20)(H,17,18)
InChIKeyVYTXHZVKFAKZKZ-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

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 124613840
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 7266331
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759939
2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60826612
2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60825266
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
CID 61007896
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
CID 119346548
N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
CID 34457472
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (CID 60827223) is 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is CC1(C)NC(=O)N(CC(=O)N(CC(=O)O)C2CC2)C1=O.
What is the InChIKey of 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is VYTXHZVKFAKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-12(2)10(19)15(11(20)13-12)5-8(16)14(6-9(17)18)7-3-4-7/h7H,3-6H2,1-2H3,(H,13,20)(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(4,4-dimethyl-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-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60827223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).