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

C9H19N3O2 — CID 103102003

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CC(N)=O)C(=O)CC(C)(C)N
InChIInChI=1S/C9H19N3O2/c1-4-12(6-7(10)13)8(14)5-9(2,3)11/h4-6,11H2,1-3H3,(H2,10,13)
InChIKeyJPGMUXKFTAUHPU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.55
Rot. Bonds5

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

3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide (PubChem CID 103102003) 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-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide
PubChem CID103102003
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CC(N)=O)C(=O)CC(C)(C)N
InChIInChI=1S/C9H19N3O2/c1-4-12(6-7(10)13)8(14)5-9(2,3)11/h4-6,11H2,1-3H3,(H2,10,13)
InChIKeyJPGMUXKFTAUHPU-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-methoxyacetyl)amino]acetamide
CID 103104209
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
N-(2-amino-2-oxoethyl)-N-ethyl-4-hydroxybutanamide
CID 103104212
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
CID 103101636
N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide
CID 103102368
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
CID 103188745
methyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103101669
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide (CID 103102003) is 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide is CCN(CC(N)=O)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide?
The InChIKey is JPGMUXKFTAUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(6-7(10)13)8(14)5-9(2,3)11/h4-6,11H2,1-3H3,(H2,10,13).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide?
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide has a molecular weight of 201.27 g/mol, XLogP of -0.55, 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-3-methylbutanamide is sourced from PubChem (CID 103102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).