1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid

C11H21NO3 — CID 116503311

IUPAC1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCC(C)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-9(7-15-3)6-12-5-4-11(2,8-12)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyBABYXQIPMNDGSB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.07
Rot. Bonds5

About 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 116503311) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID116503311
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCC(C)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-9(7-15-3)6-12-5-4-11(2,8-12)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyBABYXQIPMNDGSB-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
CID 116503309
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046353
1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046366
1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid
CID 116503324
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
CID 122046240
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 63147684
1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147801

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid (CID 116503311) is 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid is COCC(C)CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BABYXQIPMNDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(7-15-3)6-12-5-4-11(2,8-12)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 116503311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).