5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid

C15H22N2O5 — CID 121499054

IUPAC5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
SMILESCCN(CC1CCOCC1)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H22N2O5/c1-2-17(10-11-5-7-21-8-6-11)15(20)16-9-12-3-4-13(22-12)14(18)19/h3-4,11H,2,5-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyCUIDSECLMCLARZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.94
Rot. Bonds6

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

5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 121499054) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID121499054
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
SMILESCCN(CC1CCOCC1)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H22N2O5/c1-2-17(10-11-5-7-21-8-6-11)15(20)16-9-12-3-4-13(22-12)14(18)19/h3-4,11H,2,5-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyCUIDSECLMCLARZ-UHFFFAOYSA-N
XLogP1.94
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94118146
4-[[[methyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 119068665
5-[methyl(oxan-4-ylmethyl)amino]furan-2-carboxylic acid
CID 63706715
1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94030781
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209
4-[[[2-cyclopropylethyl(ethyl)carbamoyl]amino]methyl]benzoic acid
CID 122020805
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
4-[[[cyclobutylmethyl(cyclopropylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 122020545
5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 107481821
1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea
CID 74234927
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956

Frequently Asked Questions

What is the IUPAC name of 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid (CID 121499054) is 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid is CCN(CC1CCOCC1)C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is CUIDSECLMCLARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-2-17(10-11-5-7-21-8-6-11)15(20)16-9-12-3-4-13(22-12)14(18)19/h3-4,11H,2,5-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 121499054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).