2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid

C14H20N2O5 — CID 66435031

IUPAC2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN(C)C(=O)N2CCOC(CC(=O)O)C2)o1
InChIInChI=1S/C14H20N2O5/c1-10-3-4-11(21-10)8-15(2)14(19)16-5-6-20-12(9-16)7-13(17)18/h3-4,12H,5-9H2,1-2H3,(H,17,18)
InChIKeySFVWJVHMPIWSOE-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid

2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435031) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435031
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN(C)C(=O)N2CCOC(CC(=O)O)C2)o1
InChIInChI=1S/C14H20N2O5/c1-10-3-4-11(21-10)8-15(2)14(19)16-5-6-20-12(9-16)7-13(17)18/h3-4,12H,5-9H2,1-2H3,(H,17,18)
InChIKeySFVWJVHMPIWSOE-UHFFFAOYSA-N
XLogP1.32
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618420
2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433341
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
CID 61196959
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435865
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 102995442
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid (CID 66435031) is 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid is Cc1ccc(CN(C)C(=O)N2CCOC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is SFVWJVHMPIWSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10-3-4-11(21-10)8-15(2)14(19)16-5-6-20-12(9-16)7-13(17)18/h3-4,12H,5-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).