5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid

C11H14N2O5 — CID 83095889

IUPAC5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESNC(=O)C1COCCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5/c12-10(14)8-6-17-4-3-13(8)5-7-1-2-9(18-7)11(15)16/h1-2,8H,3-6H2,(H2,12,14)(H,15,16)
InChIKeyBPIOYPZFYXKLCQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.34
Rot. Bonds4

About 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid

5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 83095889) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
PubChem CID83095889
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESNC(=O)C1COCCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5/c12-10(14)8-6-17-4-3-13(8)5-7-1-2-9(18-7)11(15)16/h1-2,8H,3-6H2,(H2,12,14)(H,15,16)
InChIKeyBPIOYPZFYXKLCQ-UHFFFAOYSA-N
XLogP-0.34
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 83098732
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 105346152
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide
CID 126833697
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid (CID 83095889) is 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid is NC(=O)C1COCCN1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is BPIOYPZFYXKLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c12-10(14)8-6-17-4-3-13(8)5-7-1-2-9(18-7)11(15)16/h1-2,8H,3-6H2,(H2,12,14)(H,15,16).
What are the key properties of 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 83095889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).