5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

C12H15N3O6 — CID 83098732

IUPAC5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESNC(=O)C1COCCN1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H15N3O6/c13-10(16)8-6-20-4-3-15(8)12(19)14-5-7-1-2-9(21-7)11(17)18/h1-2,8H,3-6H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyYDVXQJOZSFSDQB-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.63
Rot. Bonds4

About 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 83098732) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID83098732
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESNC(=O)C1COCCN1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H15N3O6/c13-10(16)8-6-20-4-3-15(8)12(19)14-5-7-1-2-9(21-7)11(17)18/h1-2,8H,3-6H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyYDVXQJOZSFSDQB-UHFFFAOYSA-N
XLogP-0.63
TPSA135.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
(E)-4-[(3-carbamoylmorpholine-4-carbonyl)amino]but-2-enoic acid
CID 112746698
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
CID 83098739
6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
CID 83096416
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126432982
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 83098732) is 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid is NC(=O)C1COCCN1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is YDVXQJOZSFSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c13-10(16)8-6-20-4-3-15(8)12(19)14-5-7-1-2-9(21-7)11(17)18/h1-2,8H,3-6H2,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 83098732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).