3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid

C13H18N2O4 — CID 120613692

IUPAC3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
SMILESCOCC(C)(NC(=O)CCc1ccccn1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-13(9-19-2,12(17)18)15-11(16)7-6-10-5-3-4-8-14-10/h3-5,8H,6-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAXJPVXAJFHBJPV-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds7

About 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid

3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid (PubChem CID 120613692) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
PubChem CID120613692
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
SMILESCOCC(C)(NC(=O)CCc1ccccn1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-13(9-19-2,12(17)18)15-11(16)7-6-10-5-3-4-8-14-10/h3-5,8H,6-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAXJPVXAJFHBJPV-UHFFFAOYSA-N
XLogP0.62
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)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

methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
CID 75425844
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide
CID 71923903
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2-methyl-3-phenyl-2-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 75429105
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
CID 81223611
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid (CID 120613692) is 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid is COCC(C)(NC(=O)CCc1ccccn1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The InChIKey is AXJPVXAJFHBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(9-19-2,12(17)18)15-11(16)7-6-10-5-3-4-8-14-10/h3-5,8H,6-7,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 120613692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).