3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide

C9H19N3O2 — CID 103102016

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
SMILESCCN(CC(N)=O)C(=O)C(C)C(C)N
InChIInChI=1S/C9H19N3O2/c1-4-12(5-8(11)13)9(14)6(2)7(3)10/h6-7H,4-5,10H2,1-3H3,(H2,11,13)
InChIKeyMKYXTJUWBUAMFR-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.70
Rot. Bonds5

About 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide

3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide (PubChem CID 103102016) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
PubChem CID103102016
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
SMILESCCN(CC(N)=O)C(=O)C(C)C(C)N
InChIInChI=1S/C9H19N3O2/c1-4-12(5-8(11)13)9(14)6(2)7(3)10/h6-7H,4-5,10H2,1-3H3,(H2,11,13)
InChIKeyMKYXTJUWBUAMFR-UHFFFAOYSA-N
XLogP-0.70
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]-4-oxobutanoic acid
CID 103102001
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide
CID 103101958
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
methyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103101669
N-(2-amino-2-oxoethyl)-N-ethyl-4-hydroxybutanamide
CID 103104212
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide (CID 103102016) is 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide is CCN(CC(N)=O)C(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide?
The InChIKey is MKYXTJUWBUAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(5-8(11)13)9(14)6(2)7(3)10/h6-7H,4-5,10H2,1-3H3,(H2,11,13).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide?
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide has a molecular weight of 201.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 103102016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).