methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate

C13H18N2O4 — CID 54941998

IUPACmethyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccn(C)c(=O)c1)C(C)C
InChIInChI=1S/C13H18N2O4/c1-9(2)15(8-12(17)19-4)13(18)10-5-6-14(3)11(16)7-10/h5-7,9H,8H2,1-4H3
InChIKeyKGTWTQVUZGHPMW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate (PubChem CID 54941998) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
PubChem CID54941998
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccn(C)c(=O)c1)C(C)C
InChIInChI=1S/C13H18N2O4/c1-9(2)15(8-12(17)19-4)13(18)10-5-6-14(3)11(16)7-10/h5-7,9H,8H2,1-4H3
InChIKeyKGTWTQVUZGHPMW-UHFFFAOYSA-N
XLogP0.41
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 103758621
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
CID 55123665
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate (CID 54941998) is methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccn(C)c(=O)c1)C(C)C.
What is the InChIKey of methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is KGTWTQVUZGHPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)15(8-12(17)19-4)13(18)10-5-6-14(3)11(16)7-10/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54941998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).