4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C17H24N2O4 — CID 122023503

IUPAC4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CCCN2C(=O)NC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C17H24N2O4/c1-11-4-9-15(23-11)14-3-2-10-19(14)17(22)18-13-7-5-12(6-8-13)16(20)21/h4,9,12-14H,2-3,5-8,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMXLBVKVAZKKDNX-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.08
Rot. Bonds3

About 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023503) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023503
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CCCN2C(=O)NC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C17H24N2O4/c1-11-4-9-15(23-11)14-3-2-10-19(14)17(22)18-13-7-5-12(6-8-13)16(20)21/h4,9,12-14H,2-3,5-8,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMXLBVKVAZKKDNX-UHFFFAOYSA-N
XLogP3.08
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023822
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025053
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389
[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
CID 99619252
bis[2-(5-methylfuran-2-yl)pyrrolidin-1-yl] oxalate
CID 66856340
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 95773818
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023503) is 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(C2CCCN2C(=O)NC2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MXLBVKVAZKKDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-4-9-15(23-11)14-3-2-10-19(14)17(22)18-13-7-5-12(6-8-13)16(20)21/h4,9,12-14H,2-3,5-8,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).