1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H25NO3 — CID 106984620

IUPAC1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOCC(C1CC1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25NO3/c1-10(2)14(13(16)17)6-7-15(9-14)12(8-18-3)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyGQQNYZAVKFNXDR-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds6

About 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984620) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984620
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOCC(C1CC1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25NO3/c1-10(2)14(13(16)17)6-7-15(9-14)12(8-18-3)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyGQQNYZAVKFNXDR-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984632
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106991541
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid
CID 104599075
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
1-(1-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984147
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
1-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984782
3-propan-2-yl-1-(thian-4-yl)pyrrolidine-3-carboxylic acid
CID 106984771

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984620) is 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is COCC(C1CC1)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is GQQNYZAVKFNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)14(13(16)17)6-7-15(9-14)12(8-18-3)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).