2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate

C16H31NO6 — CID 158502443

IUPAC2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN1CCOCC1.CC(C)C(=O)OCCO
InChIInChI=1S/C10H19NO3.C6H12O3/c1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-5(2)6(8)9-4-3-7/h9H,3-8H2,1-2H3;5,7H,3-4H2,1-2H3
InChIKeyHKBCVGNNMZRMRD-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.70
Rot. Bonds7

About 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate

2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate (PubChem CID 158502443) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
PubChem CID158502443
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Name2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN1CCOCC1.CC(C)C(=O)OCCO
InChIInChI=1S/C10H19NO3.C6H12O3/c1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-5(2)6(8)9-4-3-7/h9H,3-8H2,1-2H3;5,7H,3-4H2,1-2H3
InChIKeyHKBCVGNNMZRMRD-UHFFFAOYSA-N
XLogP0.70
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium
CID 163516744
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-(2-morpholin-4-ylethoxy)propanoyl fluoride
CID 139604150
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate?
The IUPAC name of 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate (CID 158502443) is 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate?
The canonical SMILES for 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate is CC(C)C(=O)OCCN1CCOCC1.CC(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate?
The InChIKey is HKBCVGNNMZRMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C6H12O3/c1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-5(2)6(8)9-4-3-7/h9H,3-8H2,1-2H3;5,7H,3-4H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate?
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate has a molecular weight of 333.43 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate is sourced from PubChem (CID 158502443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).