2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid

C14H20N2O5 — CID 61203496

IUPAC2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(C)C2CCOCC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9-12(13(17)18)7-11(21-9)8-15-14(19)16(2)10-3-5-20-6-4-10/h7,10H,3-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOGIOSNVPNQGGJW-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 61203496) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID61203496
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(C)C2CCOCC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9-12(13(17)18)7-11(21-9)8-15-14(19)16(2)10-3-5-20-6-4-10/h7,10H,3-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOGIOSNVPNQGGJW-UHFFFAOYSA-N
XLogP1.61
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61428919
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226798
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid (CID 61203496) is 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)N(C)C2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is OGIOSNVPNQGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9-12(13(17)18)7-11(21-9)8-15-14(19)16(2)10-3-5-20-6-4-10/h7,10H,3-6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61203496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).