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

C18H26N2O5 — CID 122023822

IUPAC4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(C2CCCN2C(=O)NC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C18H26N2O5/c1-24-11-14-8-9-16(25-14)15-3-2-10-20(15)18(23)19-13-6-4-12(5-7-13)17(21)22/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyCQSSDZJXEYDGKW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds5

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

4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023822) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023822
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(C2CCCN2C(=O)NC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C18H26N2O5/c1-24-11-14-8-9-16(25-14)15-3-2-10-20(15)18(23)19-13-6-4-12(5-7-13)17(21)22/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyCQSSDZJXEYDGKW-UHFFFAOYSA-N
XLogP2.92
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023503
2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99637404
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99636971
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 99715113
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
CID 124573623
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778
[2-chloro-6-(methylamino)-4-pyridinyl]-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 97309825
1-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99642013
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 139005572

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023822) is 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is COCc1ccc(C2CCCN2C(=O)NC2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CQSSDZJXEYDGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-24-11-14-8-9-16(25-14)15-3-2-10-20(15)18(23)19-13-6-4-12(5-7-13)17(21)22/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).