2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid

C18H20N2O5 — CID 124969662

IUPAC2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
SMILESC[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1
InChIInChI=1S/C18H20N2O5/c1-18(17(19)23)11-20(8-9-24-18)10-12-6-7-15(25-12)13-4-2-3-5-14(13)16(21)22/h2-7H,8-11H2,1H3,(H2,19,23)(H,21,22)/t18-/m0/s1
InChIKeyJKJCYTLBGWUAPX-SFHVURJKSA-N
MW344.37 g/mol
LogP1.72
Rot. Bonds5

About 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid

2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid (PubChem CID 124969662) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
PubChem CID124969662
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
SMILESC[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1
InChIInChI=1S/C18H20N2O5/c1-18(17(19)23)11-20(8-9-24-18)10-12-6-7-15(25-12)13-4-2-3-5-14(13)16(21)22/h2-7H,8-11H2,1H3,(H2,19,23)(H,21,22)/t18-/m0/s1
InChIKeyJKJCYTLBGWUAPX-SFHVURJKSA-N
XLogP1.72
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 110097035
2-[5-[[(3R)-3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 124999167
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
CID 124945933
(2R)-2-methyl-4-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 95839767
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
2-[5-(2-aminoethyl)furan-2-yl]benzoic acid
CID 170888008
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
CID 132948171
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509
3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719656
(2S)-2-methyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632634

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid (CID 124969662) is 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid is C[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1.
What is the InChIKey of 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
The InChIKey is JKJCYTLBGWUAPX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-18(17(19)23)11-20(8-9-24-18)10-12-6-7-15(25-12)13-4-2-3-5-14(13)16(21)22/h2-7H,8-11H2,1H3,(H2,19,23)(H,21,22)/t18-/m0/s1.
What are the key properties of 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 124969662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).