2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid

C17H24N2O5 — CID 120532925

IUPAC2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)NC1CCCCCCC1C(=O)O
InChIInChI=1S/C17H24N2O5/c1-11(18-16(21)14-9-6-10-24-14)15(20)19-13-8-5-3-2-4-7-12(13)17(22)23/h6,9-13H,2-5,7-8H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyFIMMYKXLPCXIHG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid

2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid (PubChem CID 120532925) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
PubChem CID120532925
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)NC1CCCCCCC1C(=O)O
InChIInChI=1S/C17H24N2O5/c1-11(18-16(21)14-9-6-10-24-14)15(20)19-13-8-5-3-2-4-7-12(13)17(22)23/h6,9-13H,2-5,7-8H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyFIMMYKXLPCXIHG-UHFFFAOYSA-N
XLogP1.94
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812498
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid (CID 120532925) is 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid is CC(NC(=O)c1ccco1)C(=O)NC1CCCCCCC1C(=O)O.
What is the InChIKey of 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid?
The InChIKey is FIMMYKXLPCXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(18-16(21)14-9-6-10-24-14)15(20)19-13-8-5-3-2-4-7-12(13)17(22)23/h6,9-13H,2-5,7-8H2,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid?
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).