4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid

C12H22N2O5 — CID 81061396

IUPAC4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCC(C)OCCN(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-9(2)18-6-4-13(3)12(17)14-5-7-19-10(8-14)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyQRWRHFNOSJXLRU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.25
Rot. Bonds5

About 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid

4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 81061396) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID81061396
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCC(C)OCCN(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-9(2)18-6-4-13(3)12(17)14-5-7-19-10(8-14)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyQRWRHFNOSJXLRU-UHFFFAOYSA-N
XLogP0.25
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
CID 63706904
2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 81058040
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151
(2S)-4-[3-(2-methylpropoxy)propanoyl]morpholine-2-carboxylic acid
CID 125154347
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
CID 62003252
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid (CID 81061396) is 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid is CC(C)OCCN(C)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is QRWRHFNOSJXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(2)18-6-4-13(3)12(17)14-5-7-19-10(8-14)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid?
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 81061396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).