methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate

C11H14N2O3 — CID 78950792

IUPACmethyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccnc1C
InChIInChI=1S/C11H14N2O3/c1-8-9(4-3-6-12-8)11(15)13-7-5-10(14)16-2/h3-4,6H,5,7H2,1-2H3,(H,13,15)
InChIKeyRCUYYJRZZQHKKM-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.68
Rot. Bonds4

About methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate

methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate (PubChem CID 78950792) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
PubChem CID78950792
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccnc1C
InChIInChI=1S/C11H14N2O3/c1-8-9(4-3-6-12-8)11(15)13-7-5-10(14)16-2/h3-4,6H,5,7H2,1-2H3,(H,13,15)
InChIKeyRCUYYJRZZQHKKM-UHFFFAOYSA-N
XLogP0.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate (CID 78950792) is methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cccnc1C.
What is the InChIKey of methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate?
The InChIKey is RCUYYJRZZQHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-9(4-3-6-12-8)11(15)13-7-5-10(14)16-2/h3-4,6H,5,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate?
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 78950792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).