methyl (2S)-2-(methylamino)propanoate

C5H11NO2 — CID 11040900

IUPACmethyl (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)OC
InChIInChI=1S/C5H11NO2/c1-4(6-2)5(7)8-3/h4,6H,1-3H3/t4-/m0/s1
InChIKeyPQIUHUKRJAOTLS-BYPYZUCNSA-N
MW117.15 g/mol
LogP-0.23
Rot. Bonds2

About methyl (2S)-2-(methylamino)propanoate

methyl (2S)-2-(methylamino)propanoate (PubChem CID 11040900) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methyl (2S)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(methylamino)propanoate
PubChem CID11040900
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethyl (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)OC
InChIInChI=1S/C5H11NO2/c1-4(6-2)5(7)8-3/h4,6H,1-3H3/t4-/m0/s1
InChIKeyPQIUHUKRJAOTLS-BYPYZUCNSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(methylamino)propanoate?
The IUPAC name of methyl (2S)-2-(methylamino)propanoate (CID 11040900) is methyl (2S)-2-(methylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(methylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(methylamino)propanoate is CN[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(methylamino)propanoate?
The InChIKey is PQIUHUKRJAOTLS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(6-2)5(7)8-3/h4,6H,1-3H3/t4-/m0/s1.
What are the key properties of methyl (2S)-2-(methylamino)propanoate?
methyl (2S)-2-(methylamino)propanoate has a molecular weight of 117.15 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(methylamino)propanoate is sourced from PubChem (CID 11040900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).