3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid

C14H18N2O4 — CID 124945933

IUPAC3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
SMILESC[C@]1(C(N)=O)CN(Cc2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C14H18N2O4/c1-14(13(15)19)9-16(5-6-20-14)8-10-3-2-4-11(7-10)12(17)18/h2-4,7H,5-6,8-9H2,1H3,(H2,15,19)(H,17,18)/t14-/m1/s1
InChIKeyBUMWHBOBEDYAJP-CQSZACIVSA-N
MW278.31 g/mol
LogP0.46
Rot. Bonds4

About 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid

3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid (PubChem CID 124945933) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
PubChem CID124945933
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
SMILESC[C@]1(C(N)=O)CN(Cc2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C14H18N2O4/c1-14(13(15)19)9-16(5-6-20-14)8-10-3-2-4-11(7-10)12(17)18/h2-4,7H,5-6,8-9H2,1H3,(H2,15,19)(H,17,18)/t14-/m1/s1
InChIKeyBUMWHBOBEDYAJP-CQSZACIVSA-N
XLogP0.46
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122029468
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124951417
3-[[2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]benzoic acid
CID 122034789
(2R)-2-methyl-4-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 95839767
3-[(3,3-difluoropyrrolidin-1-yl)methyl]benzoic acid;hydrochloride
CID 137332046
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid (CID 124945933) is 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid is C[C@]1(C(N)=O)CN(Cc2cccc(C(=O)O)c2)CCO1.
What is the InChIKey of 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid?
The InChIKey is BUMWHBOBEDYAJP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(15)19)9-16(5-6-20-14)8-10-3-2-4-11(7-10)12(17)18/h2-4,7H,5-6,8-9H2,1H3,(H2,15,19)(H,17,18)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid?
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 124945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).