benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate

C23H25NO3 — CID 46884741

IUPACbenzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
SMILESO=C(C1CC1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C23H25NO3/c25-21(20-12-13-20)24-15-7-14-23(24,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKeyOARCFEGWQSUJNQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds6

About benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate

benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 46884741) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID46884741
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Namebenzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
SMILESO=C(C1CC1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C23H25NO3/c25-21(20-12-13-20)24-15-7-14-23(24,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKeyOARCFEGWQSUJNQ-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-proline methyl ester
CID 11090880
1-(2-Cyclohexyl-2-oxo-acetyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 21027759
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 9824296
(+)-Benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46866293
Benzyl 3-benzyl-5-oxo-1,2,6,7,8,8a-hexahydroindolizine-3-carboxylate
CID 70692143
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
2-Fluorobenzyl (2-oxo-4-phenyl-1-pyrrolidinyl)acetate
CID 2943317
Benzyl 1-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 46884563
Benzyl 1-acetyl-2-(4-methylbenzyl)pyrrolidine-2-carboxylate
CID 46884615
Benzyl 1-acetyl-2-(4-methoxybenzyl)pyrrolidine-2-carboxylate
CID 46884616
Benzyl 1-acetyl-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylate
CID 46884617
Benzyl 1-acetyl-2-(4-fluorobenzyl)pyrrolidine-2-carboxylate
CID 46884646

Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate (CID 46884741) is benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate is O=C(C1CC1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is OARCFEGWQSUJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-21(20-12-13-20)24-15-7-14-23(24,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2.
What are the key properties of benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 46884741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).