3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide

C10H22N2O3 — CID 106114112

IUPAC3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC(O)CC(C)C
InChIInChI=1S/C10H22N2O3/c1-7(2)4-8(13)6-12-10(14)9(5-11)15-3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyWZOQNNOCZUFVKK-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.52
Rot. Bonds7

About 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide

3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide (PubChem CID 106114112) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide
PubChem CID106114112
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC(O)CC(C)C
InChIInChI=1S/C10H22N2O3/c1-7(2)4-8(13)6-12-10(14)9(5-11)15-3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyWZOQNNOCZUFVKK-UHFFFAOYSA-N
XLogP-0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide 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-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
3-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 107155574
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
3-amino-N-tert-butyl-2-methoxypropanamide
CID 106110957
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide (CID 106114112) is 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide is COC(CN)C(=O)NCC(O)CC(C)C.
What is the InChIKey of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide?
The InChIKey is WZOQNNOCZUFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-7(2)4-8(13)6-12-10(14)9(5-11)15-3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide?
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide has a molecular weight of 218.30 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide is sourced from PubChem (CID 106114112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).