4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid

C15H20N2O4 — CID 61202032

IUPAC4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
SMILESCC1(C)CN(C(=O)NCc2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-15(2)10-17(7-8-21-15)14(20)16-9-11-3-5-12(6-4-11)13(18)19/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLSTXDLLGARPIMO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.71
Rot. Bonds3

About 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid

4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid (PubChem CID 61202032) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
PubChem CID61202032
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
SMILESCC1(C)CN(C(=O)NCc2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-15(2)10-17(7-8-21-15)14(20)16-9-11-3-5-12(6-4-11)13(18)19/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLSTXDLLGARPIMO-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
2,2-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 87007188
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
4-[(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)methyl]benzoic acid
CID 122020091
4-[[(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carbonyl)amino]methyl]benzoic acid
CID 122020140
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
4-[[[3-methoxycarbonyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020420
N-[(3-butoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87004150
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87003505
N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 128783740
(2S)-2-ethyl-2-methyl-N-[(4-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857598

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid (CID 61202032) is 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid is CC1(C)CN(C(=O)NCc2ccc(C(=O)O)cc2)CCO1.
What is the InChIKey of 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The InChIKey is LSTXDLLGARPIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)10-17(7-8-21-15)14(20)16-9-11-3-5-12(6-4-11)13(18)19/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 61202032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).