5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid

C12H16N2O5 — CID 104607855

IUPAC5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
SMILESCC(C)CNC(=O)CNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H16N2O5/c1-7(2)4-13-10(15)5-14-11(16)9-3-8(6-19-9)12(17)18/h3,6-7H,4-5H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyBOOKHMJEKKBFIP-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.48
Rot. Bonds6

About 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid

5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 104607855) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
PubChem CID104607855
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
SMILESCC(C)CNC(=O)CNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H16N2O5/c1-7(2)4-13-10(15)5-14-11(16)9-3-8(6-19-9)12(17)18/h3,6-7H,4-5H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyBOOKHMJEKKBFIP-UHFFFAOYSA-N
XLogP0.48
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
CID 104607143
2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 82109644
6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 115730327
3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112687782
5-acetylfuran-3-carboxylic acid
CID 10654434
5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 104623369
5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid (CID 104607855) is 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid is CC(C)CNC(=O)CNC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is BOOKHMJEKKBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(2)4-13-10(15)5-14-11(16)9-3-8(6-19-9)12(17)18/h3,6-7H,4-5H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid?
5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).