6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid

C14H25N3O4 — CID 65289762

IUPAC6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid
SMILESCC(CCNCCN1C(=O)NC(C)(C)C1=O)CCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-10(4-5-11(18)19)6-7-15-8-9-17-12(20)14(2,3)16-13(17)21/h10,15H,4-9H2,1-3H3,(H,16,21)(H,18,19)
InChIKeySBUFGZSUIINNAE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds9

About 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid

6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid (PubChem CID 65289762) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid
PubChem CID65289762
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid
SMILESCC(CCNCCN1C(=O)NC(C)(C)C1=O)CCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-10(4-5-11(18)19)6-7-15-8-9-17-12(20)14(2,3)16-13(17)21/h10,15H,4-9H2,1-3H3,(H,16,21)(H,18,19)
InChIKeySBUFGZSUIINNAE-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 61387578
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119498732
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
CID 60834396
5,5-dimethyl-3-[2-(3-triethoxysilylpropylamino)ethyl]imidazolidine-2,4-dione
CID 69250773
6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid
CID 66062218

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid?
The IUPAC name of 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid (CID 65289762) is 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid?
The canonical SMILES for 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid is CC(CCNCCN1C(=O)NC(C)(C)C1=O)CCC(=O)O.
What is the InChIKey of 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid?
The InChIKey is SBUFGZSUIINNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(4-5-11(18)19)6-7-15-8-9-17-12(20)14(2,3)16-13(17)21/h10,15H,4-9H2,1-3H3,(H,16,21)(H,18,19).
What are the key properties of 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid?
6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid is sourced from PubChem (CID 65289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).