2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

C9H15N3O4 — CID 18476630

IUPAC2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESCN1C(=O)N(CC(N)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C9H15N3O4/c1-9(2)7(15)12(8(16)11(9)3)4-5(10)6(13)14/h5H,4,10H2,1-3H3,(H,13,14)
InChIKeyKIXMIQNCUWHCTB-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.93
Rot. Bonds3

About 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 18476630) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID18476630
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESCN1C(=O)N(CC(N)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C9H15N3O4/c1-9(2)7(15)12(8(16)11(9)3)4-5(10)6(13)14/h5H,4,10H2,1-3H3,(H,13,14)
InChIKeyKIXMIQNCUWHCTB-UHFFFAOYSA-N
XLogP-0.93
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.93
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)acetic acid
CID 2386010
3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
Hydantoinpropionic acid
CID 69303592
(4-Ethyl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetic acid
CID 3860988
(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-methylpropanoic acid
CID 44322745
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154173
1-Carbamoyl-2-oxoimidazolidine-4-carboxylic acid
CID 69693763
Methyl 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoate
CID 84035111
2-[(t-Butoxycarbonyl)amino]-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
CID 171919159
4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-dipropionic acid
CID 6452258
2-(2,5-Dioxoimidazolidin-1-yl)propanoic acid
CID 336133

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid (CID 18476630) is 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid is CN1C(=O)N(CC(N)C(=O)O)C(=O)C1(C)C.
What is the InChIKey of 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is KIXMIQNCUWHCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-9(2)7(15)12(8(16)11(9)3)4-5(10)6(13)14/h5H,4,10H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 18476630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).