5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid

C12H16N2O5 — CID 103932710

IUPAC5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H16N2O5/c1-7(10(15)13-2)6-14(3)11(16)8-4-5-9(19-8)12(17)18/h4-5,7H,6H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyXHWSYUJFNTZYDV-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.43
Rot. Bonds5

About 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid

5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid (PubChem CID 103932710) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
PubChem CID103932710
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H16N2O5/c1-7(10(15)13-2)6-14(3)11(16)8-4-5-9(19-8)12(17)18/h4-5,7H,6H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyXHWSYUJFNTZYDV-UHFFFAOYSA-N
XLogP0.43
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[(2S)-2-phenylpropyl]carbamoyl]furan-2-carboxylic acid
CID 99851700
6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 103790374
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
CID 106916306
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
3-hydroxy-4-iodo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 104629307

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid (CID 103932710) is 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid is CNC(=O)C(C)CN(C)C(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid?
The InChIKey is XHWSYUJFNTZYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(10(15)13-2)6-14(3)11(16)8-4-5-9(19-8)12(17)18/h4-5,7H,6H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid?
5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 103932710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).