2-[(2-methoxyacetyl)amino]-3-methylbutanamide

C8H16N2O3 — CID 103650627

IUPAC2-[(2-methoxyacetyl)amino]-3-methylbutanamide
SMILESCOCC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C8H16N2O3/c1-5(2)7(8(9)12)10-6(11)4-13-3/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyVZUPFWJQIMWGQA-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.74
Rot. Bonds5

About 2-[(2-methoxyacetyl)amino]-3-methylbutanamide

2-[(2-methoxyacetyl)amino]-3-methylbutanamide (PubChem CID 103650627) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-3-methylbutanamide
PubChem CID103650627
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(2-methoxyacetyl)amino]-3-methylbutanamide
SMILESCOCC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C8H16N2O3/c1-5(2)7(8(9)12)10-6(11)4-13-3/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyVZUPFWJQIMWGQA-UHFFFAOYSA-N
XLogP-0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
L-Alanine, N-(N-acetyl-L-valyl)-methyl ester
CID 143301
(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide
CID 22690993
(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide hydrochloride
CID 71757132
(6S)-3-methoxy-6-propan-2-ylpiperazine-2,5-dione
CID 101991919
ethyl L-valylglycinate
CID 10608179
N-acetyl-l-valyl-l-valine methyl ester
CID 11029177
L-valyl L-valine methyl ester
CID 12944632
Ala-Val-Ome
CID 14462153
(2S)-N-cyclohexyl-2-[(2-methoxyacetyl)amino]propanamide
CID 38406148
(2S)-N-[(2,2-dimethylcyclopropyl)methyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
CID 75373253
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-3-methylbutanamide (CID 103650627) is 2-[(2-methoxyacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-3-methylbutanamide is COCC(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The InChIKey is VZUPFWJQIMWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)7(8(9)12)10-6(11)4-13-3/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11).
What are the key properties of 2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
2-[(2-methoxyacetyl)amino]-3-methylbutanamide has a molecular weight of 188.23 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 103650627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).