4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid

C10H19NO3 — CID 27351748

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
SMILESC[C@@H]1CN(CCCC(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H19NO3/c1-8-6-11(7-9(2)14-8)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+
InChIKeyASUQVUMFVLSUIA-DTORHVGOSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds4

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid (PubChem CID 27351748) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
PubChem CID27351748
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
SMILESC[C@@H]1CN(CCCC(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H19NO3/c1-8-6-11(7-9(2)14-8)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+
InChIKeyASUQVUMFVLSUIA-DTORHVGOSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 439756
2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
CID 2
Levocarnitine-propionate
CID 157837
4-Morpholinebutanoic acid
CID 79872
propionyl L-carnitine, Sigma
CID 107739
4-Morpholin-4-Yl-Butyric Acid Hydrochloride
CID 12733746
Methyl 4-morpholin-4-ylbutanoate;hydrochloride
CID 45261344
Hemiacetylcarnitinium
CID 128706
2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
(2-Butanoyloxy-3-carboxypropyl)-trimethylazanium
CID 439830
[(2R)-2-Butanoyloxy-3-carboxypropyl]-trimethylazanium
CID 213145
Ethyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 50988010

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid (CID 27351748) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid is C[C@@H]1CN(CCCC(=O)O)C[C@H](C)O1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid?
The InChIKey is ASUQVUMFVLSUIA-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-6-11(7-9(2)14-8)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid is sourced from PubChem (CID 27351748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).