(2S)-2-amino-3-methoxy-N-methylpropanamide

C5H12N2O2 — CID 146630999

IUPAC(2S)-2-amino-3-methoxy-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)COC
InChIInChI=1S/C5H12N2O2/c1-7-5(8)4(6)3-9-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyATDYQZXQGJKPGK-BYPYZUCNSA-N
MW132.16 g/mol
LogP-1.29
Rot. Bonds3

About (2S)-2-amino-3-methoxy-N-methylpropanamide

(2S)-2-amino-3-methoxy-N-methylpropanamide (PubChem CID 146630999) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S)-2-amino-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methoxy-N-methylpropanamide
PubChem CID146630999
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(2S)-2-amino-3-methoxy-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)COC
InChIInChI=1S/C5H12N2O2/c1-7-5(8)4(6)3-9-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyATDYQZXQGJKPGK-BYPYZUCNSA-N
XLogP-1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methoxy-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-methoxy-N-methylpropanamide (CID 146630999) is (2S)-2-amino-3-methoxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-methoxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-methoxy-N-methylpropanamide is CNC(=O)[C@@H](N)COC.
What is the InChIKey of (2S)-2-amino-3-methoxy-N-methylpropanamide?
The InChIKey is ATDYQZXQGJKPGK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-7-5(8)4(6)3-9-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-methoxy-N-methylpropanamide?
(2S)-2-amino-3-methoxy-N-methylpropanamide has a molecular weight of 132.16 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 146630999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).