6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid

C13H21NO3 — CID 81455114

IUPAC6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO3/c15-11(16)7-2-1-3-8-14-13(17)12-9-5-4-6-10(9)12/h9-10,12H,1-8H2,(H,14,17)(H,15,16)
InChIKeyXIUYJQCVNBTCPE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds7

About 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid

6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid (PubChem CID 81455114) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
PubChem CID81455114
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO3/c15-11(16)7-2-1-3-8-14-13(17)12-9-5-4-6-10(9)12/h9-10,12H,1-8H2,(H,14,17)(H,15,16)
InChIKeyXIUYJQCVNBTCPE-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
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

3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid
CID 102892142
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
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
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132

Frequently Asked Questions

What is the IUPAC name of 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid?
The IUPAC name of 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid (CID 81455114) is 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)C1C2CCCC21.
What is the InChIKey of 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid?
The InChIKey is XIUYJQCVNBTCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11(16)7-2-1-3-8-14-13(17)12-9-5-4-6-10(9)12/h9-10,12H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid?
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid is sourced from PubChem (CID 81455114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).