2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid

C11H14N2O5 — CID 106108531

IUPAC2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
SMILESCOC(=O)c1cccnc1NCC(OC)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-17-8(10(14)15)6-13-9-7(11(16)18-2)4-3-5-12-9/h3-5,8H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLPRMTTLUSRKNJX-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.38
Rot. Bonds6

About 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid

2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid (PubChem CID 106108531) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
PubChem CID106108531
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
SMILESCOC(=O)c1cccnc1NCC(OC)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-17-8(10(14)15)6-13-9-7(11(16)18-2)4-3-5-12-9/h3-5,8H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLPRMTTLUSRKNJX-UHFFFAOYSA-N
XLogP0.38
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 106108396
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108497
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid (CID 106108531) is 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid is COC(=O)c1cccnc1NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid?
The InChIKey is LPRMTTLUSRKNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-8(10(14)15)6-13-9-7(11(16)18-2)4-3-5-12-9/h3-5,8H,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid?
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 106108531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).