5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid

C13H17NO4 — CID 104623369

IUPAC5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCC1(CNC(=O)c2cc(C(=O)O)co2)CCC1
InChIInChI=1S/C13H17NO4/c1-2-13(4-3-5-13)8-14-11(15)10-6-9(7-18-10)12(16)17/h6-7H,2-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyUKMRBBCAASDYKW-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.29
Rot. Bonds5

About 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid

5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104623369) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID104623369
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCC1(CNC(=O)c2cc(C(=O)O)co2)CCC1
InChIInChI=1S/C13H17NO4/c1-2-13(4-3-5-13)8-14-11(15)10-6-9(7-18-10)12(16)17/h6-7H,2-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyUKMRBBCAASDYKW-UHFFFAOYSA-N
XLogP2.29
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114117425
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 104607768
N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
CID 103741365

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid (CID 104623369) is 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid is CCC1(CNC(=O)c2cc(C(=O)O)co2)CCC1.
What is the InChIKey of 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is UKMRBBCAASDYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-13(4-3-5-13)8-14-11(15)10-6-9(7-18-10)12(16)17/h6-7H,2-5,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid?
5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104623369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).