3-amino-2-methoxy-N-(2-methylbutyl)propanamide

C9H20N2O2 — CID 106112770

IUPAC3-amino-2-methoxy-N-(2-methylbutyl)propanamide
SMILESCCC(C)CNC(=O)C(CN)OC
InChIInChI=1S/C9H20N2O2/c1-4-7(2)6-11-9(12)8(5-10)13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyOIQUANCNIJBEFA-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About 3-amino-2-methoxy-N-(2-methylbutyl)propanamide

3-amino-2-methoxy-N-(2-methylbutyl)propanamide (PubChem CID 106112770) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(2-methylbutyl)propanamide
PubChem CID106112770
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-2-methoxy-N-(2-methylbutyl)propanamide
SMILESCCC(C)CNC(=O)C(CN)OC
InChIInChI=1S/C9H20N2O2/c1-4-7(2)6-11-9(12)8(5-10)13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyOIQUANCNIJBEFA-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide
CID 106114112
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
CID 106113366
2-methylbutylurea
CID 22179633
3-amino-N-tert-butyl-2-methoxypropanamide
CID 106110957

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(2-methylbutyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(2-methylbutyl)propanamide (CID 106112770) is 3-amino-2-methoxy-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(2-methylbutyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(2-methylbutyl)propanamide is CCC(C)CNC(=O)C(CN)OC.
What is the InChIKey of 3-amino-2-methoxy-N-(2-methylbutyl)propanamide?
The InChIKey is OIQUANCNIJBEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-7(2)6-11-9(12)8(5-10)13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-2-methoxy-N-(2-methylbutyl)propanamide?
3-amino-2-methoxy-N-(2-methylbutyl)propanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 106112770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).