5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid

C12H14N2O5 — CID 104607397

IUPAC5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H14N2O5/c1-14(5-10(15)13-8-2-3-8)11(16)9-4-7(6-19-9)12(17)18/h4,6,8H,2-3,5H2,1H3,(H,13,15)(H,17,18)
InChIKeyKFWILWYFLMDGPU-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.33
Rot. Bonds5

About 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid

5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607397) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607397
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H14N2O5/c1-14(5-10(15)13-8-2-3-8)11(16)9-4-7(6-19-9)12(17)18/h4,6,8H,2-3,5H2,1H3,(H,13,15)(H,17,18)
InChIKeyKFWILWYFLMDGPU-UHFFFAOYSA-N
XLogP0.33
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 107201888
N-cyclopropyl-2-[[4-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]acetamide
CID 63585140
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
CID 104607255
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 126830792
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43579067
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79690456

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid (CID 104607397) is 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid is CN(CC(=O)NC1CC1)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is KFWILWYFLMDGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-14(5-10(15)13-8-2-3-8)11(16)9-4-7(6-19-9)12(17)18/h4,6,8H,2-3,5H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid?
5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).