5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid

C14H19NO4 — CID 75356033

IUPAC5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
SMILESCCC1CCCN(C(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H19NO4/c1-2-10-4-3-8-15(9-7-10)13(16)11-5-6-12(19-11)14(17)18/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyNECGUUMTKKOIAF-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.63
Rot. Bonds3

About 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid

5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid (PubChem CID 75356033) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
PubChem CID75356033
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
SMILESCCC1CCCN(C(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H19NO4/c1-2-10-4-3-8-15(9-7-10)13(16)11-5-6-12(19-11)14(17)18/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyNECGUUMTKKOIAF-UHFFFAOYSA-N
XLogP2.63
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
(4-ethylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107030649
5-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]furan-2-carboxylic acid
CID 124595190
(4-ethylazepan-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103674673
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
CID 103765578
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid (CID 75356033) is 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid is CCC1CCCN(C(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid?
The InChIKey is NECGUUMTKKOIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-10-4-3-8-15(9-7-10)13(16)11-5-6-12(19-11)14(17)18/h5-6,10H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid?
5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 75356033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).