3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid

C11H14N2O4 — CID 175528618

IUPAC3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid
SMILESCOC(=O)N(C)c1cc(CCC(=O)O)ccn1
InChIInChI=1S/C11H14N2O4/c1-13(11(16)17-2)9-7-8(5-6-12-9)3-4-10(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyAMFOJWXDCIMGFX-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.30
Rot. Bonds4

About 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid

3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid (PubChem CID 175528618) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid
PubChem CID175528618
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid
SMILESCOC(=O)N(C)c1cc(CCC(=O)O)ccn1
InChIInChI=1S/C11H14N2O4/c1-13(11(16)17-2)9-7-8(5-6-12-9)3-4-10(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyAMFOJWXDCIMGFX-UHFFFAOYSA-N
XLogP1.30
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]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 N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
CID 170630375
tert-butyl N-methyl-N-[4-(methylaminooxymethyl)-2-pyridinyl]carbamate
CID 143799585
3-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propanamide
CID 173012595
methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate
CID 170630320
N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide
CID 53186104
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
[2-(dimethylamino)-4-pyridinyl]methanol
CID 22625066
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
[4-(2-hydroxyethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294550
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid (CID 175528618) is 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid is COC(=O)N(C)c1cc(CCC(=O)O)ccn1.
What is the InChIKey of 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid?
The InChIKey is AMFOJWXDCIMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-13(11(16)17-2)9-7-8(5-6-12-9)3-4-10(14)15/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid?
3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid is sourced from PubChem (CID 175528618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).