2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid

C10H14N2O2 — CID 115136447

IUPAC2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
SMILESCC(C)(CNc1ccccn1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)7-12-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyACQKQBHQXDMFRK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.60
Rot. Bonds4

About 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid

2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid (PubChem CID 115136447) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
PubChem CID115136447
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
SMILESCC(C)(CNc1ccccn1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)7-12-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyACQKQBHQXDMFRK-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic 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

N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
3-anilino-2,2-dimethylpropanoic acid
CID 13028386
2-N,2-dimethyl-1-N-pyridin-2-ylpropane-1,2-diamine
CID 115222058
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
CID 144955277
CID 144955277
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
CID 175185919
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid (CID 115136447) is 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid is CC(C)(CNc1ccccn1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid?
The InChIKey is ACQKQBHQXDMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,9(13)14)7-12-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid?
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid is sourced from PubChem (CID 115136447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).