3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid

C11H14N2O5 — CID 81077972

IUPAC3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
SMILESCOCC(Nc1ccnc(C(=O)OC)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-17-6-9(10(14)15)13-7-3-4-12-8(5-7)11(16)18-2/h3-5,9H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRNESONPLNGRUNS-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.38
Rot. Bonds6

About 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid

3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid (PubChem CID 81077972) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
PubChem CID81077972
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
SMILESCOCC(Nc1ccnc(C(=O)OC)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-17-6-9(10(14)15)13-7-3-4-12-8(5-7)11(16)18-2/h3-5,9H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRNESONPLNGRUNS-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

3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
CID 66286519
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 106282841
methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 66287461
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid (CID 81077972) is 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid is COCC(Nc1ccnc(C(=O)OC)c1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid?
The InChIKey is RNESONPLNGRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-6-9(10(14)15)13-7-3-4-12-8(5-7)11(16)18-2/h3-5,9H,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid?
3-methoxy-2-[(2-methoxycarbonyl-4-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 3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 81077972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).