7-aminoheptanoic acid;heptanoic acid

C14H29NO4 — CID 157060940

IUPAC7-aminoheptanoic acid;heptanoic acid
SMILESCCCCCCC(=O)O.NCCCCCCC(=O)O
InChIInChI=1S/C7H15NO2.C7H14O2/c8-6-4-2-1-3-5-7(9)10;1-2-3-4-5-6-7(8)9/h1-6,8H2,(H,9,10);2-6H2,1H3,(H,8,9)
InChIKeyABICHFHERHQDEE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.02
Rot. Bonds11

About 7-aminoheptanoic acid;heptanoic acid

7-aminoheptanoic acid;heptanoic acid (PubChem CID 157060940) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-aminoheptanoic acid;heptanoic acid.

Molecular Properties

Compound Name7-aminoheptanoic acid;heptanoic acid
PubChem CID157060940
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name7-aminoheptanoic acid;heptanoic acid
SMILESCCCCCCC(=O)O.NCCCCCCC(=O)O
InChIInChI=1S/C7H15NO2.C7H14O2/c8-6-4-2-1-3-5-7(9)10;1-2-3-4-5-6-7(8)9/h1-6,8H2,(H,9,10);2-6H2,1H3,(H,8,9)
InChIKeyABICHFHERHQDEE-UHFFFAOYSA-N
XLogP3.02
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;pentan-1-amine
CID 161401164
decan-1-amine;dodecanoic acid
CID 173305256
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
icosan-1-amine;octadecanoic acid
CID 174740583
pentan-1-amine;tetradecanoic acid
CID 174809000
5-aminopentan-1-ol;octanoic acid
CID 21259313
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
11-aminoundecanoic acid;ethane
CID 144914161

Frequently Asked Questions

What is the IUPAC name of 7-aminoheptanoic acid;heptanoic acid?
The IUPAC name of 7-aminoheptanoic acid;heptanoic acid (CID 157060940) is 7-aminoheptanoic acid;heptanoic acid.
What is the SMILES notation for 7-aminoheptanoic acid;heptanoic acid?
The canonical SMILES for 7-aminoheptanoic acid;heptanoic acid is CCCCCCC(=O)O.NCCCCCCC(=O)O.
What is the InChIKey of 7-aminoheptanoic acid;heptanoic acid?
The InChIKey is ABICHFHERHQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C7H14O2/c8-6-4-2-1-3-5-7(9)10;1-2-3-4-5-6-7(8)9/h1-6,8H2,(H,9,10);2-6H2,1H3,(H,8,9).
What are the key properties of 7-aminoheptanoic acid;heptanoic acid?
7-aminoheptanoic acid;heptanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.02, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoheptanoic acid;heptanoic acid is sourced from PubChem (CID 157060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).