4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one

C10H17N3O2 — CID 84734570

IUPAC4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
SMILESCC(C)(C)c1[nH]c(=O)[nH]c1C(=O)CCN
InChIInChI=1S/C10H17N3O2/c1-10(2,3)8-7(6(14)4-5-11)12-9(15)13-8/h4-5,11H2,1-3H3,(H2,12,13,15)
InChIKeyNBPKOSFYWZAJJI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.53
Rot. Bonds3

About 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one

4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one (PubChem CID 84734570) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
PubChem CID84734570
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
SMILESCC(C)(C)c1[nH]c(=O)[nH]c1C(=O)CCN
InChIInChI=1S/C10H17N3O2/c1-10(2,3)8-7(6(14)4-5-11)12-9(15)13-8/h4-5,11H2,1-3H3,(H2,12,13,15)
InChIKeyNBPKOSFYWZAJJI-UHFFFAOYSA-N
XLogP0.53
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-methyl-1H-pyrrol-2-yl)propan-1-one
CID 96848696
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134136455
3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
CID 115113429
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate
CID 70463911
3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
CID 117464194
7-amino-1-(1,3-benzothiazol-2-yl)-5,5-dimethylheptan-2-one
CID 116574888
diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-oxobutanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 5079460
3-amino-1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-1-one
CID 117435409
4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one
CID 70463526
2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone
CID 82400083

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one (CID 84734570) is 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one is CC(C)(C)c1[nH]c(=O)[nH]c1C(=O)CCN.
What is the InChIKey of 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
The InChIKey is NBPKOSFYWZAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)8-7(6(14)4-5-11)12-9(15)13-8/h4-5,11H2,1-3H3,(H2,12,13,15).
What are the key properties of 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropanoyl)-5-tert-butyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84734570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).