2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C9H15N3O4 — CID 21357443

IUPAC2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(CCCN)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H15N3O4/c1-9(3-2-4-10)7(15)12(5-6(13)14)8(16)11-9/h2-5,10H2,1H3,(H,11,16)(H,13,14)
InChIKeyFAVYDCAQJSIRFG-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.88
Rot. Bonds5

About 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 21357443) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID21357443
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(CCCN)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H15N3O4/c1-9(3-2-4-10)7(15)12(5-6(13)14)8(16)11-9/h2-5,10H2,1H3,(H,11,16)(H,13,14)
InChIKeyFAVYDCAQJSIRFG-UHFFFAOYSA-N
XLogP-0.88
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 22993673
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
2-[(4S)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246600
2-[(4R)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246599
2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid
CID 86707727
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 155964614
(4-bromo-2-fluorophenyl)methyl 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9487016
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 21357443) is 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is CC1(CCCN)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is FAVYDCAQJSIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-9(3-2-4-10)7(15)12(5-6(13)14)8(16)11-9/h2-5,10H2,1H3,(H,11,16)(H,13,14).
What are the key properties of 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 21357443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).