(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid

C20H28N2O3 — CID 133127768

IUPAC(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)CCN1C[C@H](C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C20H28N2O3/c1-2-22(12-15-6-4-3-5-7-15)19(23)10-11-21-13-17(16-8-9-16)18(14-21)20(24)25/h3-7,16-18H,2,8-14H2,1H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyAZJQPVGOZMKYLE-MSOLQXFVSA-N
MW344.45 g/mol
LogP2.47
Rot. Bonds8

About (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 133127768) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID133127768
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)CCN1C[C@H](C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C20H28N2O3/c1-2-22(12-15-6-4-3-5-7-15)19(23)10-11-21-13-17(16-8-9-16)18(14-21)20(24)25/h3-7,16-18H,2,8-14H2,1H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyAZJQPVGOZMKYLE-MSOLQXFVSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 109022884
N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide
CID 122556914
ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
CID 109022893
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 133127768) is (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid is CCN(Cc1ccccc1)C(=O)CCN1C[C@H](C(=O)O)[C@@H](C2CC2)C1.
What is the InChIKey of (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is AZJQPVGOZMKYLE-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-22(12-15-6-4-3-5-7-15)19(23)10-11-21-13-17(16-8-9-16)18(14-21)20(24)25/h3-7,16-18H,2,8-14H2,1H3,(H,24,25)/t17-,18+/m1/s1.
What are the key properties of (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 344.45 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133127768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).