4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid

C15H26N2O3 — CID 114411541

IUPAC4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)N1CC=CCC1)CCC(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-6-13(7-8-14(18)19)9-10-16-15(20)17-11-4-3-5-12-17/h3-4,13H,2,5-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyFVDYUOOTEIILKA-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.63
Rot. Bonds8

About 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid

4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid (PubChem CID 114411541) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid
PubChem CID114411541
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)N1CC=CCC1)CCC(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-6-13(7-8-14(18)19)9-10-16-15(20)17-11-4-3-5-12-17/h3-4,13H,2,5-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyFVDYUOOTEIILKA-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 13141783
4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
CID 115965821
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
(2R)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 107567733
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 114411673
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
CID 114411797
3-[(3,6-dihydro-2H-pyridine-1-carbonylamino)methyl]-5-methylhexanoic acid
CID 114411666
4-[2-(2,2-difluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 113303947
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131224020
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 114411753
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid?
The IUPAC name of 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid (CID 114411541) is 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid?
The canonical SMILES for 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid is CCCC(CCNC(=O)N1CC=CCC1)CCC(=O)O.
What is the InChIKey of 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid?
The InChIKey is FVDYUOOTEIILKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-6-13(7-8-14(18)19)9-10-16-15(20)17-11-4-3-5-12-17/h3-4,13H,2,5-12H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid?
4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid is sourced from PubChem (CID 114411541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).