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

C12H16N2O5 — CID 82741959

IUPAC5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(C(=O)NCc1ccc(C(=O)O)o1)C1CCOC1
InChIInChI=1S/C12H16N2O5/c1-14(8-4-5-18-7-8)12(17)13-6-9-2-3-10(19-9)11(15)16/h2-3,8H,4-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyNBTJLNWCYKUCRX-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.91
Rot. Bonds4

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

5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 82741959) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID82741959
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(C(=O)NCc1ccc(C(=O)O)o1)C1CCOC1
InChIInChI=1S/C12H16N2O5/c1-14(8-4-5-18-7-8)12(17)13-6-9-2-3-10(19-9)11(15)16/h2-3,8H,4-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyNBTJLNWCYKUCRX-UHFFFAOYSA-N
XLogP0.91
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 121499054
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
5-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 125148607
5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
CID 134714681
5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 83098732
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920

Frequently Asked Questions

What is the IUPAC name of 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid (CID 82741959) is 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid is CN(C(=O)NCc1ccc(C(=O)O)o1)C1CCOC1.
What is the InChIKey of 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is NBTJLNWCYKUCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-14(8-4-5-18-7-8)12(17)13-6-9-2-3-10(19-9)11(15)16/h2-3,8H,4-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82741959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).