7-[acetyl(6-carboxyhexyl)amino]heptanoic acid

C16H29NO5 — CID 15084878

IUPAC7-[acetyl(6-carboxyhexyl)amino]heptanoic acid
SMILESCC(=O)N(CCCCCCC(=O)O)CCCCCCC(=O)O
InChIInChI=1S/C16H29NO5/c1-14(18)17(12-8-4-2-6-10-15(19)20)13-9-5-3-7-11-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyFKXJNWVNEJRCKO-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.91
Rot. Bonds14

About 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid

7-[acetyl(6-carboxyhexyl)amino]heptanoic acid (PubChem CID 15084878) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[acetyl(6-carboxyhexyl)amino]heptanoic acid
PubChem CID15084878
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name7-[acetyl(6-carboxyhexyl)amino]heptanoic acid
SMILESCC(=O)N(CCCCCCC(=O)O)CCCCCCC(=O)O
InChIInChI=1S/C16H29NO5/c1-14(18)17(12-8-4-2-6-10-15(19)20)13-9-5-3-7-11-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyFKXJNWVNEJRCKO-UHFFFAOYSA-N
XLogP2.91
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid?
The IUPAC name of 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid (CID 15084878) is 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid.
What is the SMILES notation for 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid?
The canonical SMILES for 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid is CC(=O)N(CCCCCCC(=O)O)CCCCCCC(=O)O.
What is the InChIKey of 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid?
The InChIKey is FKXJNWVNEJRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-14(18)17(12-8-4-2-6-10-15(19)20)13-9-5-3-7-11-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid?
7-[acetyl(6-carboxyhexyl)amino]heptanoic acid has a molecular weight of 315.41 g/mol, XLogP of 2.91, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[acetyl(6-carboxyhexyl)amino]heptanoic acid is sourced from PubChem (CID 15084878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).