3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid

C10H19NO3 — CID 170367992

IUPAC3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid
SMILESC[C@H]1CN(C)C[C@@H]1COCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-8-5-11(2)6-9(8)7-14-4-3-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyOKZYYLFIZTUQIY-DTWKUNHWSA-N
MW201.27 g/mol
LogP0.68
Rot. Bonds5

About 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid

3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid (PubChem CID 170367992) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid
PubChem CID170367992
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid
SMILESC[C@H]1CN(C)C[C@@H]1COCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-8-5-11(2)6-9(8)7-14-4-3-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyOKZYYLFIZTUQIY-DTWKUNHWSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Boc-3-(pyrrolidin-3-ylmethoxy)propanoic acid
CID 84061688
1-(3-Ethoxy-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 56988641
[(3S,4R)-1-methyl-4-(2-methylpropanoyloxymethyl)pyrrolidin-3-yl]methyl 2-methylpropanoate
CID 60006938
[(3S,4R)-1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate
CID 60007112
1-(3-Methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
1-(3-Ethoxypropyl)pyrrolidine-3-carboxylic acid
CID 65180381
(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 69019104
3-Methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 69722682
[1-Methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate
CID 72620570
3-[4-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]butan-2-yloxy]propanoic acid
CID 146175339
(3S)-3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]pyrrolidine-1-carboxylic acid
CID 155124871
Ethane;1-ethylpyrrolidine;3-propoxypropanoic acid
CID 162750252

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid?
The IUPAC name of 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid (CID 170367992) is 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid.
What is the SMILES notation for 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid?
The canonical SMILES for 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid is C[C@H]1CN(C)C[C@@H]1COCCC(=O)O.
What is the InChIKey of 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid?
The InChIKey is OKZYYLFIZTUQIY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-5-11(2)6-9(8)7-14-4-3-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid?
3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid is sourced from PubChem (CID 170367992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).