(2S)-2-(dimethylamino)propanoic acid

C5H11NO2 — CID 5488191

IUPAC(2S)-2-(dimethylamino)propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyQCYOIFVBYZNUNW-BYPYZUCNSA-N
MW117.15 g/mol
LogP0.02
Rot. Bonds2

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

(2S)-2-(dimethylamino)propanoic acid (PubChem CID 5488191) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)propanoic acid
PubChem CID5488191
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-2-(dimethylamino)propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyQCYOIFVBYZNUNW-BYPYZUCNSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)propanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)propanoic acid (CID 5488191) is (2S)-2-(dimethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)propanoic acid is C[C@@H](C(=O)O)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)propanoic acid?
The InChIKey is QCYOIFVBYZNUNW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)propanoic acid?
(2S)-2-(dimethylamino)propanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)propanoic acid is sourced from PubChem (CID 5488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).