2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid

C11H21NO4 — CID 114495022

IUPAC2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
SMILESCCC(C)(O)CN1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-3-11(2,15)8-12-4-5-16-9(7-12)6-10(13)14/h9,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyWMDBPKGDDMCOGP-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.32
Rot. Bonds5

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

2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid (PubChem CID 114495022) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
PubChem CID114495022
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
SMILESCCC(C)(O)CN1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-3-11(2,15)8-12-4-5-16-9(7-12)6-10(13)14/h9,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyWMDBPKGDDMCOGP-UHFFFAOYSA-N
XLogP0.32
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-(2,2-dimethylbutanoyl)morpholin-2-yl]acetic acid
CID 124515405
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66434088
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid (CID 114495022) is 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid is CCC(C)(O)CN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid?
The InChIKey is WMDBPKGDDMCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-11(2,15)8-12-4-5-16-9(7-12)6-10(13)14/h9,15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid?
2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 114495022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).