1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

C13H25NO3 — CID 65068653

IUPAC1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(CC)COC)C1
InChIInChI=1S/C13H25NO3/c1-4-6-13(12(15)16)7-8-14(10-13)11(5-2)9-17-3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyFTHPCVGAFNMYDO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.99
Rot. Bonds7

About 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65068653) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65068653
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(CC)COC)C1
InChIInChI=1S/C13H25NO3/c1-4-6-13(12(15)16)7-8-14(10-13)11(5-2)9-17-3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyFTHPCVGAFNMYDO-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63148353
3-Propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148537
3-Ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 65803497
3-Propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 65803708
3-Propyl-1-(6,6,6-trifluorohexan-2-yl)pyrrolidine-3-carboxylic acid
CID 116536211
1-[1-[(2-Methylpropan-2-yl)oxy]ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 123680100
Methyl 1-methyl-3-propylpyrrolidine-3-carboxylate
CID 126659392
Ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
CID 126659444
ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 145013367
2-Ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 146297100
2-[(2R)-1-(1-methoxypropan-2-yl)-2-methylpyrrolidin-2-yl]acetic acid
CID 169760564
2-Ethyl-1-propylpyrrolidine-3-carboxylic acid
CID 170133391

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 65068653) is 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(CC)COC)C1.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is FTHPCVGAFNMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-13(12(15)16)7-8-14(10-13)11(5-2)9-17-3/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65068653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).