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

C9H20N2O3 — CID 81102467

IUPAC2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(C)CCO
InChIInChI=1S/C9H20N2O3/c1-7(3-4-12)5-11-9(13)8(10)6-14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyDHGKHWVZIRWBDL-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.91
Rot. Bonds7

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

2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide (PubChem CID 81102467) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
PubChem CID81102467
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(C)CCO
InChIInChI=1S/C9H20N2O3/c1-7(3-4-12)5-11-9(13)8(10)6-14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyDHGKHWVZIRWBDL-UHFFFAOYSA-N
XLogP-0.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
CID 107905413
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
CID 103157306
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide (CID 81102467) is 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide is COCC(N)C(=O)NCC(C)CCO.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide?
The InChIKey is DHGKHWVZIRWBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(3-4-12)5-11-9(13)8(10)6-14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide?
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide has a molecular weight of 204.27 g/mol, XLogP of -0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide is sourced from PubChem (CID 81102467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).