3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid

C10H19NO3 — CID 129498984

IUPAC3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid
SMILESCOC[C@@H]1CN(CCC(=O)O)C[C@H]1C
InChIInChI=1S/C10H19NO3/c1-8-5-11(4-3-10(12)13)6-9(8)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyRDZBNKRVXMJXMM-BDAKNGLRSA-N
MW201.27 g/mol
LogP0.68
Rot. Bonds5

About 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid

3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid (PubChem CID 129498984) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid
PubChem CID129498984
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid
SMILESCOC[C@@H]1CN(CCC(=O)O)C[C@H]1C
InChIInChI=1S/C10H19NO3/c1-8-5-11(4-3-10(12)13)6-9(8)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyRDZBNKRVXMJXMM-BDAKNGLRSA-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

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Related Compounds

1-(3-Methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 44890871
rac-methyl (3R,4R)-1,4-dimethylpyrrolidine-3-carboxylate
CID 130620549
Methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate
CID 165389417
Butyl 1-methylpyrrolidine-3-carboxylate
CID 13611069
Ethyl 1-propylpyrrolidine-3-carboxylate
CID 83981011
4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63720364
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanoic acid
CID 64582822
3,3,3-Trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914
1-(3-Fluoropropyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81114241
(3S,4S)-1-(3-fluoropropyl)-4-methylpyrrolidine-3-carboxylic acid
CID 105583721
(3S,4S)-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 105584529
Methyl 3-fluoro-1-(3-hydroxypropyl)pyrrolidine-3-carboxylate
CID 111565257

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid (CID 129498984) is 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid is COC[C@@H]1CN(CCC(=O)O)C[C@H]1C.
What is the InChIKey of 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid?
The InChIKey is RDZBNKRVXMJXMM-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-5-11(4-3-10(12)13)6-9(8)7-14-2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of 3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid?
3-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]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-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 129498984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).