7-(cyclooctanecarbonylamino)heptanoic acid

C16H29NO3 — CID 65019467

IUPAC7-(cyclooctanecarbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CCCCCCC1
InChIInChI=1S/C16H29NO3/c18-15(19)12-8-4-5-9-13-17-16(20)14-10-6-2-1-3-7-11-14/h14H,1-13H2,(H,17,20)(H,18,19)
InChIKeyDQIGOZQFUDHNCW-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.50
Rot. Bonds8

About 7-(cyclooctanecarbonylamino)heptanoic acid

7-(cyclooctanecarbonylamino)heptanoic acid (PubChem CID 65019467) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 7-(cyclooctanecarbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(cyclooctanecarbonylamino)heptanoic acid
PubChem CID65019467
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name7-(cyclooctanecarbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CCCCCCC1
InChIInChI=1S/C16H29NO3/c18-15(19)12-8-4-5-9-13-17-16(20)14-10-6-2-1-3-7-11-14/h14H,1-13H2,(H,17,20)(H,18,19)
InChIKeyDQIGOZQFUDHNCW-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666

Frequently Asked Questions

What is the IUPAC name of 7-(cyclooctanecarbonylamino)heptanoic acid?
The IUPAC name of 7-(cyclooctanecarbonylamino)heptanoic acid (CID 65019467) is 7-(cyclooctanecarbonylamino)heptanoic acid.
What is the SMILES notation for 7-(cyclooctanecarbonylamino)heptanoic acid?
The canonical SMILES for 7-(cyclooctanecarbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)C1CCCCCCC1.
What is the InChIKey of 7-(cyclooctanecarbonylamino)heptanoic acid?
The InChIKey is DQIGOZQFUDHNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-15(19)12-8-4-5-9-13-17-16(20)14-10-6-2-1-3-7-11-14/h14H,1-13H2,(H,17,20)(H,18,19).
What are the key properties of 7-(cyclooctanecarbonylamino)heptanoic acid?
7-(cyclooctanecarbonylamino)heptanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclooctanecarbonylamino)heptanoic acid is sourced from PubChem (CID 65019467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).