(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid

C9H12N2O2 — CID 66718288

IUPAC(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
SMILESCN(C)[C@@H](C(=O)O)c1ccncc1
InChIInChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-3-5-10-6-4-7/h3-6,8H,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyIARSHNWRCPTAHF-MRVPVSSYSA-N
MW180.21 g/mol
LogP0.77
Rot. Bonds3

About (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid

(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid (PubChem CID 66718288) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
PubChem CID66718288
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
SMILESCN(C)[C@@H](C(=O)O)c1ccncc1
InChIInChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-3-5-10-6-4-7/h3-6,8H,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyIARSHNWRCPTAHF-MRVPVSSYSA-N
XLogP0.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 116857149
(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760
4-[dimethylamino(pyridin-4-yl)methyl]benzoic acid
CID 116908451
2-pyridin-4-yl-2-sulfanylacetic acid
CID 19758802
2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
CID 84748828
2-(dimethylamino)-2-pyrazin-2-ylacetic acid
CID 82408477
2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
CID 131031436
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
3-methyl-2-[methylamino(pyridin-4-yl)methyl]butanoic acid
CID 116959813
3-methylsulfanyl-2-pyridin-4-ylpropanoic acid
CID 117246613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid?
The IUPAC name of (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid (CID 66718288) is (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid is CN(C)[C@@H](C(=O)O)c1ccncc1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid?
The InChIKey is IARSHNWRCPTAHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-3-5-10-6-4-7/h3-6,8H,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid?
(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid is sourced from PubChem (CID 66718288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).