(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid

C12H23NO4 — CID 104875585

IUPAC(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
SMILESCC(C)CN1CCOC(CO[C@H](C)C(=O)O)C1
InChIInChI=1S/C12H23NO4/c1-9(2)6-13-4-5-16-11(7-13)8-17-10(3)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)/t10-,11?/m1/s1
InChIKeyOTSHAEWQXCRTIG-NFJWQWPMSA-N
MW245.32 g/mol
LogP0.83
Rot. Bonds6

About (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid

(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid (PubChem CID 104875585) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
PubChem CID104875585
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
SMILESCC(C)CN1CCOC(CO[C@H](C)C(=O)O)C1
InChIInChI=1S/C12H23NO4/c1-9(2)6-13-4-5-16-11(7-13)8-17-10(3)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)/t10-,11?/m1/s1
InChIKeyOTSHAEWQXCRTIG-NFJWQWPMSA-N
XLogP0.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid?
The IUPAC name of (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid (CID 104875585) is (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid is CC(C)CN1CCOC(CO[C@H](C)C(=O)O)C1.
What is the InChIKey of (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid?
The InChIKey is OTSHAEWQXCRTIG-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(2)6-13-4-5-16-11(7-13)8-17-10(3)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid?
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid is sourced from PubChem (CID 104875585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).