2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid

C12H18N2O3 — CID 114990589

IUPAC2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
SMILESCOCCCNC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C12H18N2O3/c1-12(11(15)16,14-7-4-8-17-2)10-5-3-6-13-9-10/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyYQPCUOILCRXPLN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds7

About 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid

2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid (PubChem CID 114990589) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
PubChem CID114990589
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
SMILESCOCCCNC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C12H18N2O3/c1-12(11(15)16,14-7-4-8-17-2)10-5-3-6-13-9-10/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyYQPCUOILCRXPLN-UHFFFAOYSA-N
XLogP1.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-2-pyridin-3-ylpropanamide
CID 62540330
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
methyl 2-(prop-2-ynylamino)-2-pyridin-3-ylpropanoate
CID 62365284
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid (CID 114990589) is 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid is COCCCNC(C)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is YQPCUOILCRXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(11(15)16,14-7-4-8-17-2)10-5-3-6-13-9-10/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid?
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 114990589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).