2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid

C12H17N3O4 — CID 81078416

IUPAC2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
SMILESCOCC(Nc1nc(C)cc(C)c1C(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-6-4-7(2)14-11(9(6)10(13)16)15-8(5-19-3)12(17)18/h4,8H,5H2,1-3H3,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyHZEMOGRZXOYZLP-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.31
Rot. Bonds6

About 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid

2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid (PubChem CID 81078416) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
PubChem CID81078416
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
SMILESCOCC(Nc1nc(C)cc(C)c1C(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-6-4-7(2)14-11(9(6)10(13)16)15-8(5-19-3)12(17)18/h4,8H,5H2,1-3H3,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyHZEMOGRZXOYZLP-UHFFFAOYSA-N
XLogP0.31
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid (CID 81078416) is 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid is COCC(Nc1nc(C)cc(C)c1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
The InChIKey is HZEMOGRZXOYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-4-7(2)14-11(9(6)10(13)16)15-8(5-19-3)12(17)18/h4,8H,5H2,1-3H3,(H2,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid?
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81078416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).