4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid

C15H21NO5 — CID 114451272

IUPAC4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
SMILESCC(OC1CCC(C(=O)O)CC1)C(=O)NCc1ccco1
InChIInChI=1S/C15H21NO5/c1-10(14(17)16-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)15(18)19/h2-3,8,10-12H,4-7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyIWRCZALUUBJRLX-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.94
Rot. Bonds6

About 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid

4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid (PubChem CID 114451272) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
PubChem CID114451272
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
SMILESCC(OC1CCC(C(=O)O)CC1)C(=O)NCc1ccco1
InChIInChI=1S/C15H21NO5/c1-10(14(17)16-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)15(18)19/h2-3,8,10-12H,4-7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyIWRCZALUUBJRLX-UHFFFAOYSA-N
XLogP1.94
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-piperidin-3-yloxypropanamide
CID 43117610
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 46817687
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7064745

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid (CID 114451272) is 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid is CC(OC1CCC(C(=O)O)CC1)C(=O)NCc1ccco1.
What is the InChIKey of 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid?
The InChIKey is IWRCZALUUBJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(14(17)16-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)15(18)19/h2-3,8,10-12H,4-7,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid?
4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid has a molecular weight of 295.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).