(2R)-3-hydroxy-2-(methylamino)propanoic acid

C4H9NO3 — CID 5288119

IUPAC(2R)-3-hydroxy-2-(methylamino)propanoic acid
SMILESCN[C@H](CO)C(=O)O
InChIInChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m1/s1
InChIKeyPSFABYLDRXJYID-GSVOUGTGSA-N
MW119.12 g/mol
LogP-1.35
Rot. Bonds3

About (2R)-3-hydroxy-2-(methylamino)propanoic acid

(2R)-3-hydroxy-2-(methylamino)propanoic acid (PubChem CID 5288119) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(methylamino)propanoic acid
PubChem CID5288119
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2R)-3-hydroxy-2-(methylamino)propanoic acid
SMILESCN[C@H](CO)C(=O)O
InChIInChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m1/s1
InChIKeyPSFABYLDRXJYID-GSVOUGTGSA-N
XLogP-1.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(methylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(methylamino)propanoic acid (CID 5288119) is (2R)-3-hydroxy-2-(methylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(methylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(methylamino)propanoic acid is CN[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(methylamino)propanoic acid?
The InChIKey is PSFABYLDRXJYID-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(methylamino)propanoic acid?
(2R)-3-hydroxy-2-(methylamino)propanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 5288119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).