5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid

C12H15NO5 — CID 113434091

IUPAC5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCOCC2CC2)c1
InChIInChI=1S/C12H15NO5/c14-11(10-5-9(7-18-10)12(15)16)13-3-4-17-6-8-1-2-8/h5,7-8H,1-4,6H2,(H,13,14)(H,15,16)
InChIKeyCCWZHGRYYCGSGW-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.13
Rot. Bonds7

About 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid

5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 113434091) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID113434091
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCOCC2CC2)c1
InChIInChI=1S/C12H15NO5/c14-11(10-5-9(7-18-10)12(15)16)13-3-4-17-6-8-1-2-8/h5,7-8H,1-4,6H2,(H,13,14)(H,15,16)
InChIKeyCCWZHGRYYCGSGW-UHFFFAOYSA-N
XLogP1.13
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607621
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
4-[2-(cyclopropylmethoxy)ethyl]benzoic acid
CID 67025841
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 104607768
4-[2-(cyclopropylmethoxy)ethylamino]-3-methylbenzoic acid
CID 114098189
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid (CID 113434091) is 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCCOCC2CC2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is CCWZHGRYYCGSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-11(10-5-9(7-18-10)12(15)16)13-3-4-17-6-8-1-2-8/h5,7-8H,1-4,6H2,(H,13,14)(H,15,16).
What are the key properties of 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid?
5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113434091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).