2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid

C15H27NO3 — CID 177337311

IUPAC2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid
SMILESCC(C)(C1CCCCC1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-15(2,12-6-4-3-5-7-12)16-8-9-19-13(11-16)10-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyZJZMPNRILRBNLL-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid

2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid (PubChem CID 177337311) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid
PubChem CID177337311
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid
SMILESCC(C)(C1CCCCC1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-15(2,12-6-4-3-5-7-12)16-8-9-19-13(11-16)10-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyZJZMPNRILRBNLL-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid (CID 177337311) is 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid is CC(C)(C1CCCCC1)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid?
The InChIKey is ZJZMPNRILRBNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,12-6-4-3-5-7-12)16-8-9-19-13(11-16)10-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid?
2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 177337311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).