(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid
CID 62852789
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583
[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
CID 95344412
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 35361579
[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 78825962

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).