2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid

C12H21N3O4 — CID 61007896

IUPAC2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
SMILESCCCN(CCN1C(=O)NC(C)(C)C1=O)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-5-14(8-9(16)17)6-7-15-10(18)12(2,3)13-11(15)19/h4-8H2,1-3H3,(H,13,19)(H,16,17)
InChIKeyZDEFMKAXRYGBNI-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.11
Rot. Bonds7

About 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid

2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid (PubChem CID 61007896) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
PubChem CID61007896
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
SMILESCCCN(CCN1C(=O)NC(C)(C)C1=O)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-5-14(8-9(16)17)6-7-15-10(18)12(2,3)13-11(15)19/h4-8H2,1-3H3,(H,13,19)(H,16,17)
InChIKeyZDEFMKAXRYGBNI-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.11
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-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
CID 60834396
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
5,5-dimethyl-3-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106615832
ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
CID 62012001
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912786
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 113236564
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
CID 47280249
2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60827223
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid?
The IUPAC name of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid (CID 61007896) is 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid is CCCN(CCN1C(=O)NC(C)(C)C1=O)CC(=O)O.
What is the InChIKey of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid?
The InChIKey is ZDEFMKAXRYGBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-4-5-14(8-9(16)17)6-7-15-10(18)12(2,3)13-11(15)19/h4-8H2,1-3H3,(H,13,19)(H,16,17).
What are the key properties of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid?
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid is sourced from PubChem (CID 61007896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).