(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide

C8H18N2O2 — CID 89152720

IUPAC(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCN[C@@H](COC(C)(C)C)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-5-6(10-4)7(9)11/h6,10H,5H2,1-4H3,(H2,9,11)/t6-/m0/s1
InChIKeyLYCWHDIEWJXXGA-LURJTMIESA-N
MW174.24 g/mol
LogP-0.13
Rot. Bonds4

About (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide

(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 89152720) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID89152720
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCN[C@@H](COC(C)(C)C)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-5-6(10-4)7(9)11/h6,10H,5H2,1-4H3,(H2,9,11)/t6-/m0/s1
InChIKeyLYCWHDIEWJXXGA-LURJTMIESA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 89152720) is (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide is CN[C@@H](COC(C)(C)C)C(N)=O.
What is the InChIKey of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is LYCWHDIEWJXXGA-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-5-6(10-4)7(9)11/h6,10H,5H2,1-4H3,(H2,9,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide?
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 89152720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).