methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate

C11H14N2O3 — CID 106753807

IUPACmethyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H14N2O3/c1-7-6-9(4-5-12-7)10(14)13-8(2)11(15)16-3/h4-6,8H,1-3H3,(H,13,14)
InChIKeyHNUZQBRSVUKFCW-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.68
Rot. Bonds3

About methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate

methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate (PubChem CID 106753807) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
PubChem CID106753807
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H14N2O3/c1-7-6-9(4-5-12-7)10(14)13-8(2)11(15)16-3/h4-6,8H,1-3H3,(H,13,14)
InChIKeyHNUZQBRSVUKFCW-UHFFFAOYSA-N
XLogP0.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752988
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate (CID 106753807) is methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccnc(C)c1.
What is the InChIKey of methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate?
The InChIKey is HNUZQBRSVUKFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-6-9(4-5-12-7)10(14)13-8(2)11(15)16-3/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate?
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 106753807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).