1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid

C10H19NO2 — CID 106984242

IUPAC1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCN1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-4-11-6-5-10(7-11,8(2)3)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyAHUKQNFXMOYHJN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

About 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984242) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984242
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCN1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-4-11-6-5-10(7-11,8(2)3)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyAHUKQNFXMOYHJN-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984296
1-(2-ethylsulfonylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984255
1-(3-amino-2-methyl-3-oxopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984514
1-(2-methylsulfonylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984208
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984464
1-[2-(cyanomethylamino)-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984266
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984579
1-[(4-carbamoylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984298
1-(5-cyano-5-methylhexyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984160
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984536
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106991541

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984242) is 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCN1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is AHUKQNFXMOYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-11-6-5-10(7-11,8(2)3)9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).