7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid

C14H20N2O4 — CID 66290880

IUPAC7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
SMILESCOC(=O)c1cc(NCCCCCCC(=O)O)ccn1
InChIInChI=1S/C14H20N2O4/c1-20-14(19)12-10-11(7-9-16-12)15-8-5-3-2-4-6-13(17)18/h7,9-10H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyWUJZIVGZXDTPEN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.32
Rot. Bonds9

About 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid

7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid (PubChem CID 66290880) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
PubChem CID66290880
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
SMILESCOC(=O)c1cc(NCCCCCCC(=O)O)ccn1
InChIInChI=1S/C14H20N2O4/c1-20-14(19)12-10-11(7-9-16-12)15-8-5-3-2-4-6-13(17)18/h7,9-10H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyWUJZIVGZXDTPEN-UHFFFAOYSA-N
XLogP2.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-(3-methylsulfinylpropylamino)pyridine-2-carboxylate
CID 115657520
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
methyl 4-(2-phenylsulfanylethylamino)pyridine-2-carboxylate
CID 66286043
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
3-[[(2-methoxycarbonyl-4-pyridinyl)amino]methyl]pentanoic acid
CID 81065273
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid (CID 66290880) is 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid is COC(=O)c1cc(NCCCCCCC(=O)O)ccn1.
What is the InChIKey of 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid?
The InChIKey is WUJZIVGZXDTPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-14(19)12-10-11(7-9-16-12)15-8-5-3-2-4-6-13(17)18/h7,9-10H,2-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid?
7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid is sourced from PubChem (CID 66290880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).