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

C7H15N3O2 — CID 43649583

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC(N)=O
InChIInChI=1S/C7H15N3O2/c1-3-5(8)7(12)10(2)4-6(9)11/h5H,3-4,8H2,1-2H3,(H2,9,11)
InChIKeyLAYRDGLWABNXQC-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.33
Rot. Bonds4

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

2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide (PubChem CID 43649583) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
PubChem CID43649583
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC(N)=O
InChIInChI=1S/C7H15N3O2/c1-3-5(8)7(12)10(2)4-6(9)11/h5H,3-4,8H2,1-2H3,(H2,9,11)
InChIKeyLAYRDGLWABNXQC-UHFFFAOYSA-N
XLogP-1.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
2-amino-N,N-dimethylbutanamide
CID 43649466
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76926674
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide
CID 60963300
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide (CID 43649583) is 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide is CCC(N)C(=O)N(C)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide?
The InChIKey is LAYRDGLWABNXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-5(8)7(12)10(2)4-6(9)11/h5H,3-4,8H2,1-2H3,(H2,9,11).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide?
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide has a molecular weight of 173.22 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide is sourced from PubChem (CID 43649583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).