3-(2-amino-2-oxoethyl)-3-methylpentanediamide

C8H15N3O3 — CID 86237649

IUPAC3-(2-amino-2-oxoethyl)-3-methylpentanediamide
SMILESCC(CC(N)=O)(CC(N)=O)CC(N)=O
InChIInChI=1S/C8H15N3O3/c1-8(2-5(9)12,3-6(10)13)4-7(11)14/h2-4H2,1H3,(H2,9,12)(H2,10,13)(H2,11,14)
InChIKeyOUVXTSWDHVPXFF-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.38
Rot. Bonds6

About 3-(2-amino-2-oxoethyl)-3-methylpentanediamide

3-(2-amino-2-oxoethyl)-3-methylpentanediamide (PubChem CID 86237649) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-3-methylpentanediamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-3-methylpentanediamide
PubChem CID86237649
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-(2-amino-2-oxoethyl)-3-methylpentanediamide
SMILESCC(CC(N)=O)(CC(N)=O)CC(N)=O
InChIInChI=1S/C8H15N3O3/c1-8(2-5(9)12,3-6(10)13)4-7(11)14/h2-4H2,1H3,(H2,9,12)(H2,10,13)(H2,11,14)
InChIKeyOUVXTSWDHVPXFF-UHFFFAOYSA-N
XLogP-1.38
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dichlorobutanamide
CID 57160976
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
3,3,11,11-tetramethyltridecanediamide
CID 91353745
3-amino-3-methoxybutanamide
CID 91277688
5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide
CID 145338823
3-cyclopropyl-3-methylbutanamide
CID 119056827
3-methyl-3-(methylamino)pentanamide
CID 65236243
3-methyl-3-propylsulfanylbutanamide
CID 134505082
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
3,3,3-trifluoropropanamide;trimethylsilane
CID 174372455
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-3-methylpentanediamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-3-methylpentanediamide (CID 86237649) is 3-(2-amino-2-oxoethyl)-3-methylpentanediamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-3-methylpentanediamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-3-methylpentanediamide is CC(CC(N)=O)(CC(N)=O)CC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-3-methylpentanediamide?
The InChIKey is OUVXTSWDHVPXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-8(2-5(9)12,3-6(10)13)4-7(11)14/h2-4H2,1H3,(H2,9,12)(H2,10,13)(H2,11,14).
What are the key properties of 3-(2-amino-2-oxoethyl)-3-methylpentanediamide?
3-(2-amino-2-oxoethyl)-3-methylpentanediamide has a molecular weight of 201.23 g/mol, XLogP of -1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-3-methylpentanediamide is sourced from PubChem (CID 86237649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).