4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid

C12H23NO3 — CID 65247740

IUPAC4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCN1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-11(2,10(14)15)5-6-13-7-8-16-9-12(13,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyBCWRSBKPJFGUOL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds4

About 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid

4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid (PubChem CID 65247740) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
PubChem CID65247740
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCN1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-11(2,10(14)15)5-6-13-7-8-16-9-12(13,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyBCWRSBKPJFGUOL-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061854
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
CID 61433080
5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063786
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 62269405
4-(3,3-dimethylmorpholin-4-yl)but-2-enoic acid
CID 76940682
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid (CID 65247740) is 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid is CC(C)(CCN1CCOCC1(C)C)C(=O)O.
What is the InChIKey of 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid?
The InChIKey is BCWRSBKPJFGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,10(14)15)5-6-13-7-8-16-9-12(13,3)4/h5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid?
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65247740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).