2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid

C11H15N3O4 — CID 81078326

IUPAC2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid
SMILESCOCC(Nc1nc(C)ccc1C(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6-3-4-7(9(12)15)10(13-6)14-8(5-18-2)11(16)17/h3-4,8H,5H2,1-2H3,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyOCBFAFSYSCRULB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.00
Rot. Bonds6

About 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid

2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid (PubChem CID 81078326) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid
PubChem CID81078326
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid
SMILESCOCC(Nc1nc(C)ccc1C(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6-3-4-7(9(12)15)10(13-6)14-8(5-18-2)11(16)17/h3-4,8H,5H2,1-2H3,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyOCBFAFSYSCRULB-UHFFFAOYSA-N
XLogP0.00
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
CID 81078416
2-(5-bromo-2-carbamoylanilino)-3-methoxypropanoic acid
CID 114901138
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584
2-[(3-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82057666
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
CID 115303139
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 81078067
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614
2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
CID 81078412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid (CID 81078326) is 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid is COCC(Nc1nc(C)ccc1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
The InChIKey is OCBFAFSYSCRULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-3-4-7(9(12)15)10(13-6)14-8(5-18-2)11(16)17/h3-4,8H,5H2,1-2H3,(H2,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81078326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).