1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid

C14H20N2O2 — CID 83851265

IUPAC1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
SMILESCCNC1CN(Cc2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-2-15-13-10-16(9-12(13)14(17)18)8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3,(H,17,18)
InChIKeyWZSDCXLQYXCWSV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds5

About 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid

1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid (PubChem CID 83851265) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
PubChem CID83851265
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
SMILESCCNC1CN(Cc2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-2-15-13-10-16(9-12(13)14(17)18)8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3,(H,17,18)
InChIKeyWZSDCXLQYXCWSV-UHFFFAOYSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
CID 92592724
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
(3R,4R)-4-amino-1-benzylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67778714
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67998457
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid (CID 83851265) is 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid is CCNC1CN(Cc2ccccc2)CC1C(=O)O.
What is the InChIKey of 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is WZSDCXLQYXCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-13-10-16(9-12(13)14(17)18)8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3,(H,17,18).
What are the key properties of 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid?
1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83851265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).