1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C16H23NO4 — CID 43402811

IUPAC1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC(NC(=O)CC1(C(=O)O)CCCCCC1)c1ccco1
InChIInChI=1S/C16H23NO4/c1-12(13-7-6-10-21-13)17-14(18)11-16(15(19)20)8-4-2-3-5-9-16/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeySTFBAZJBKHAHJK-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.27
Rot. Bonds5

About 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 43402811) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID43402811
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC(NC(=O)CC1(C(=O)O)CCCCCC1)c1ccco1
InChIInChI=1S/C16H23NO4/c1-12(13-7-6-10-21-13)17-14(18)11-16(15(19)20)8-4-2-3-5-9-16/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeySTFBAZJBKHAHJK-UHFFFAOYSA-N
XLogP3.27
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81409013
2-(1-aminocyclohexyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400282
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81379420
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
1-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662211
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 43402811) is 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid is CC(NC(=O)CC1(C(=O)O)CCCCCC1)c1ccco1.
What is the InChIKey of 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is STFBAZJBKHAHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(13-7-6-10-21-13)17-14(18)11-16(15(19)20)8-4-2-3-5-9-16/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43402811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).