6-(cyclobutanecarbonylamino)hexanoic acid

C11H19NO3 — CID 16786054

IUPAC6-(cyclobutanecarbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)7-2-1-3-8-12-11(15)9-5-4-6-9/h9H,1-8H2,(H,12,15)(H,13,14)
InChIKeyAHWGHXJHSRVDDC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds7

About 6-(cyclobutanecarbonylamino)hexanoic acid

6-(cyclobutanecarbonylamino)hexanoic acid (PubChem CID 16786054) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(cyclobutanecarbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(cyclobutanecarbonylamino)hexanoic acid
PubChem CID16786054
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name6-(cyclobutanecarbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)7-2-1-3-8-12-11(15)9-5-4-6-9/h9H,1-8H2,(H,12,15)(H,13,14)
InChIKeyAHWGHXJHSRVDDC-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
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

7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutanecarbonylamino)hexanoic acid?
The IUPAC name of 6-(cyclobutanecarbonylamino)hexanoic acid (CID 16786054) is 6-(cyclobutanecarbonylamino)hexanoic acid.
What is the SMILES notation for 6-(cyclobutanecarbonylamino)hexanoic acid?
The canonical SMILES for 6-(cyclobutanecarbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)C1CCC1.
What is the InChIKey of 6-(cyclobutanecarbonylamino)hexanoic acid?
The InChIKey is AHWGHXJHSRVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)7-2-1-3-8-12-11(15)9-5-4-6-9/h9H,1-8H2,(H,12,15)(H,13,14).
What are the key properties of 6-(cyclobutanecarbonylamino)hexanoic acid?
6-(cyclobutanecarbonylamino)hexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutanecarbonylamino)hexanoic acid is sourced from PubChem (CID 16786054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).