2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid

C12H17N3O4 — CID 114144603

IUPAC2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCOC(CNC(=O)N(C)Cc1cccnc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(8-9-4-3-5-13-6-9)12(18)14-7-10(19-2)11(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLRCOSXSNBLDPRY-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.32
Rot. Bonds6

About 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid

2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 114144603) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID114144603
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCOC(CNC(=O)N(C)Cc1cccnc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(8-9-4-3-5-13-6-9)12(18)14-7-10(19-2)11(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLRCOSXSNBLDPRY-UHFFFAOYSA-N
XLogP0.32
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]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

1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 114144624
(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830585
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid (CID 114144603) is 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid is COC(CNC(=O)N(C)Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is LRCOSXSNBLDPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(8-9-4-3-5-13-6-9)12(18)14-7-10(19-2)11(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid?
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 114144603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).