2-(methylamino)-2-pyridin-3-ylpropanoic acid

C9H12N2O2 — CID 43753628

IUPAC2-(methylamino)-2-pyridin-3-ylpropanoic acid
SMILESCNC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-9(10-2,8(12)13)7-4-3-5-11-6-7/h3-6,10H,1-2H3,(H,12,13)
InChIKeyWNYCVXDFNCQYGM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.60
Rot. Bonds3

About 2-(methylamino)-2-pyridin-3-ylpropanoic acid

2-(methylamino)-2-pyridin-3-ylpropanoic acid (PubChem CID 43753628) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(methylamino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(methylamino)-2-pyridin-3-ylpropanoic acid
PubChem CID43753628
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(methylamino)-2-pyridin-3-ylpropanoic acid
SMILESCNC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-9(10-2,8(12)13)7-4-3-5-11-6-7/h3-6,10H,1-2H3,(H,12,13)
InChIKeyWNYCVXDFNCQYGM-UHFFFAOYSA-N
XLogP0.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-2-pyridin-3-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
(1R)-N-methyl-1-phenyl-1-pyridin-3-ylethanamine
CID 135057119
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(methylamino)-2-pyridin-3-ylpropanoic acid (CID 43753628) is 2-(methylamino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(methylamino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(methylamino)-2-pyridin-3-ylpropanoic acid is CNC(C)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(methylamino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is WNYCVXDFNCQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(10-2,8(12)13)7-4-3-5-11-6-7/h3-6,10H,1-2H3,(H,12,13).
What are the key properties of 2-(methylamino)-2-pyridin-3-ylpropanoic acid?
2-(methylamino)-2-pyridin-3-ylpropanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 43753628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).