7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid

C15H25NO3 — CID 43209972

IUPAC7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H25NO3/c17-14(18)5-3-1-2-4-8-16-15(19)13-10-11-6-7-12(13)9-11/h11-13H,1-10H2,(H,16,19)(H,17,18)
InChIKeyNEKQCSANNNGAFW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds8

About 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid

7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid (PubChem CID 43209972) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
PubChem CID43209972
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H25NO3/c17-14(18)5-3-1-2-4-8-16-15(19)13-10-11-6-7-12(13)9-11/h11-13H,1-10H2,(H,16,19)(H,17,18)
InChIKeyNEKQCSANNNGAFW-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.57
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

N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
CID 99851184
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
CID 129436866
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054

Frequently Asked Questions

What is the IUPAC name of 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid?
The IUPAC name of 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid (CID 43209972) is 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)C1CC2CCC1C2.
What is the InChIKey of 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid?
The InChIKey is NEKQCSANNNGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(18)5-3-1-2-4-8-16-15(19)13-10-11-6-7-12(13)9-11/h11-13H,1-10H2,(H,16,19)(H,17,18).
What are the key properties of 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid?
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid is sourced from PubChem (CID 43209972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).