(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid

C7H15NO3 — CID 104875154

IUPAC(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid
SMILESC[C@@H](OCCN(C)C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-6(7(9)10)11-5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyKTZGAIJFEMRSTO-ZCFIWIBFSA-N
MW161.20 g/mol
LogP0.04
Rot. Bonds5

About (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid

(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid (PubChem CID 104875154) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid
PubChem CID104875154
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid
SMILESC[C@@H](OCCN(C)C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-6(7(9)10)11-5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyKTZGAIJFEMRSTO-ZCFIWIBFSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid (CID 104875154) is (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid is C[C@@H](OCCN(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid?
The InChIKey is KTZGAIJFEMRSTO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(7(9)10)11-5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid?
(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dimethylamino)ethoxy]propanoic acid is sourced from PubChem (CID 104875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).