4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride

C15H29ClN2O7 — CID 161278898

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.Cl.OCC1CNCCO1
InChIInChI=1S/C10H17NO5.C5H11NO2.ClH/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;7-4-5-3-6-1-2-8-5;/h7H,4-6H2,1-3H3,(H,12,13);5-7H,1-4H2;1H
InChIKeyOLBSXCDHHZRWRK-UHFFFAOYSA-N
MW384.86 g/mol
LogP0.10
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride

4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride (PubChem CID 161278898) has the molecular formula C15H29ClN2O7 and a molecular weight of 384.86 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride
PubChem CID161278898
Molecular FormulaC15H29ClN2O7
Molecular Weight384.86 g/mol
Exact Mass384.17
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.Cl.OCC1CNCCO1
InChIInChI=1S/C10H17NO5.C5H11NO2.ClH/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;7-4-5-3-6-1-2-8-5;/h7H,4-6H2,1-3H3,(H,12,13);5-7H,1-4H2;1H
InChIKeyOLBSXCDHHZRWRK-UHFFFAOYSA-N
XLogP0.10
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride (CID 161278898) is 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride is CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.Cl.OCC1CNCCO1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride?
The InChIKey is OLBSXCDHHZRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5.C5H11NO2.ClH/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;7-4-5-3-6-1-2-8-5;/h7H,4-6H2,1-3H3,(H,12,13);5-7H,1-4H2;1H.
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride?
4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride has a molecular weight of 384.86 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;morpholin-2-ylmethanol;hydrochloride is sourced from PubChem (CID 161278898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).