(2S)-2-amino-3-propan-2-yloxypropanamide chloride

C6H14ClN2O2- — CID 162334283

IUPAC(2S)-2-amino-3-propan-2-yloxypropanamide chloride
SMILESCC(C)OC[C@H](N)C(N)=O.[Cl-]
InChIInChI=1S/C6H14N2O2.ClH/c1-4(2)10-3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/p-1/t5-;/m0./s1
InChIKeyWJZWAORENXLGJE-JEDNCBNOSA-M
MW181.64 g/mol
LogP-3.77
Rot. Bonds4

About (2S)-2-amino-3-propan-2-yloxypropanamide chloride

(2S)-2-amino-3-propan-2-yloxypropanamide chloride (PubChem CID 162334283) has the molecular formula C6H14ClN2O2- and a molecular weight of 181.64 g/mol. Its IUPAC name is (2S)-2-amino-3-propan-2-yloxypropanamide chloride.

Molecular Properties

Compound Name(2S)-2-amino-3-propan-2-yloxypropanamide chloride
PubChem CID162334283
Molecular FormulaC6H14ClN2O2-
Molecular Weight181.64 g/mol
Exact Mass181.07
IUPAC Name(2S)-2-amino-3-propan-2-yloxypropanamide chloride
SMILESCC(C)OC[C@H](N)C(N)=O.[Cl-]
InChIInChI=1S/C6H14N2O2.ClH/c1-4(2)10-3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/p-1/t5-;/m0./s1
InChIKeyWJZWAORENXLGJE-JEDNCBNOSA-M
XLogP-3.77
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 5-3.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-propan-2-yloxypropanamide chloride 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

ethyl (2S)-2-amino-3-propan-2-yloxypropanoate
CID 94053176
(2,3-diamino-3-oxopropyl) acetate
CID 130975644
[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate
CID 177053282
2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81062306
2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
CID 57226667
methyl 3-amino-4-propan-2-yloxybutanoate
CID 116821262
(2-amino-3-propan-2-yloxypropyl)carbamic acid
CID 90113909
2-aminobutanamide;hydrochloride
CID 14333659
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
methyl (2S)-2-amino-4-propan-2-yloxybutanoate
CID 94979693
methyl (2R)-2-amino-4-propan-2-yloxybutanoate
CID 94979694
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-propan-2-yloxypropanamide chloride?
The IUPAC name of (2S)-2-amino-3-propan-2-yloxypropanamide chloride (CID 162334283) is (2S)-2-amino-3-propan-2-yloxypropanamide chloride.
What is the SMILES notation for (2S)-2-amino-3-propan-2-yloxypropanamide chloride?
The canonical SMILES for (2S)-2-amino-3-propan-2-yloxypropanamide chloride is CC(C)OC[C@H](N)C(N)=O.[Cl-].
What is the InChIKey of (2S)-2-amino-3-propan-2-yloxypropanamide chloride?
The InChIKey is WJZWAORENXLGJE-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-4(2)10-3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/p-1/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-propan-2-yloxypropanamide chloride?
(2S)-2-amino-3-propan-2-yloxypropanamide chloride has a molecular weight of 181.64 g/mol, XLogP of -3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-propan-2-yloxypropanamide chloride is sourced from PubChem (CID 162334283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).