(2S)-2-(methylamino)propanoic acid

C4H9NO2 — CID 5288725

IUPAC(2S)-2-(methylamino)propanoic acid
SMILESCN[C@@H](C)C(=O)O
InChIInChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyGDFAOVXKHJXLEI-VKHMYHEASA-N
MW103.12 g/mol
LogP-0.32
Rot. Bonds2

About (2S)-2-(methylamino)propanoic acid

(2S)-2-(methylamino)propanoic acid (PubChem CID 5288725) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (2S)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)propanoic acid
PubChem CID5288725
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(2S)-2-(methylamino)propanoic acid
SMILESCN[C@@H](C)C(=O)O
InChIInChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyGDFAOVXKHJXLEI-VKHMYHEASA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-2-(methylamino)propanoic acid (CID 5288725) is (2S)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)propanoic acid is CN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)propanoic acid?
The InChIKey is GDFAOVXKHJXLEI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2S)-2-(methylamino)propanoic acid?
(2S)-2-(methylamino)propanoic acid has a molecular weight of 103.12 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)propanoic acid is sourced from PubChem (CID 5288725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).