2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid

C14H22N2O4 — CID 61197084

IUPAC2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC(C)CC(C)C)cc1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-8(2)5-9(3)16-14(19)15-7-11-6-12(13(17)18)10(4)20-11/h6,8-9H,5,7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyMTTAOHGSPLGXEV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.52
Rot. Bonds6

About 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid

2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid (PubChem CID 61197084) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
PubChem CID61197084
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC(C)CC(C)C)cc1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-8(2)5-9(3)16-14(19)15-7-11-6-12(13(17)18)10(4)20-11/h6,8-9H,5,7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyMTTAOHGSPLGXEV-UHFFFAOYSA-N
XLogP2.52
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
2-methyl-5-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]furan-3-carboxylic acid
CID 61465569
5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 65048515
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61428919
5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024175
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113382102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid (CID 61197084) is 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)NC(C)CC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid?
The InChIKey is MTTAOHGSPLGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8(2)5-9(3)16-14(19)15-7-11-6-12(13(17)18)10(4)20-11/h6,8-9H,5,7H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61197084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).