4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid

C19H29N3O3 — CID 134570485

IUPAC4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid
SMILESCN(C)[C@@]1(c2ccccn2)CCCC(=O)N(CCCC(=O)O)CCC1
InChIInChI=1S/C19H29N3O3/c1-21(2)19(16-8-3-4-13-20-16)11-5-9-17(23)22(15-7-12-19)14-6-10-18(24)25/h3-4,8,13H,5-7,9-12,14-15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyAEUPCLMYPINBNA-IBGZPJMESA-N
MW347.46 g/mol
LogP2.50
Rot. Bonds6

About 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid

4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid (PubChem CID 134570485) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid
PubChem CID134570485
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid
SMILESCN(C)[C@@]1(c2ccccn2)CCCC(=O)N(CCCC(=O)O)CCC1
InChIInChI=1S/C19H29N3O3/c1-21(2)19(16-8-3-4-13-20-16)11-5-9-17(23)22(15-7-12-19)14-6-10-18(24)25/h3-4,8,13H,5-7,9-12,14-15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyAEUPCLMYPINBNA-IBGZPJMESA-N
XLogP2.50
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid?
The IUPAC name of 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid (CID 134570485) is 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid.
What is the SMILES notation for 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid?
The canonical SMILES for 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid is CN(C)[C@@]1(c2ccccn2)CCCC(=O)N(CCCC(=O)O)CCC1.
What is the InChIKey of 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid?
The InChIKey is AEUPCLMYPINBNA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(2)19(16-8-3-4-13-20-16)11-5-9-17(23)22(15-7-12-19)14-6-10-18(24)25/h3-4,8,13H,5-7,9-12,14-15H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid?
4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid has a molecular weight of 347.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid is sourced from PubChem (CID 134570485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).