2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid

C17H29NO3 — CID 65019610

IUPAC2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CCCCCCC2)CCCCC1
InChIInChI=1S/C17H29NO3/c19-15(20)13-17(11-7-4-8-12-17)18-16(21)14-9-5-2-1-3-6-10-14/h14H,1-13H2,(H,18,21)(H,19,20)
InChIKeyAUEKDVBHLHYTDX-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.64
Rot. Bonds4

About 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid

2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid (PubChem CID 65019610) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
PubChem CID65019610
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CCCCCCC2)CCCCC1
InChIInChI=1S/C17H29NO3/c19-15(20)13-17(11-7-4-8-12-17)18-16(21)14-9-5-2-1-3-6-10-14/h14H,1-13H2,(H,18,21)(H,19,20)
InChIKeyAUEKDVBHLHYTDX-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid
CID 122129354
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid (CID 65019610) is 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)C2CCCCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid?
The InChIKey is AUEKDVBHLHYTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-15(20)13-17(11-7-4-8-12-17)18-16(21)14-9-5-2-1-3-6-10-14/h14H,1-13H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid?
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 65019610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).