2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate

C23H35NO3 — CID 142059647

IUPAC2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
SMILESCCC(CC)CC(=O)C1CC[C@H](C(=O)OCC(C)C)N1Cc1ccccc1
InChIInChI=1S/C23H35NO3/c1-5-18(6-2)14-22(25)20-12-13-21(23(26)27-16-17(3)4)24(20)15-19-10-8-7-9-11-19/h7-11,17-18,20-21H,5-6,12-16H2,1-4H3/t20?,21-/m1/s1
InChIKeyMWBQOYSDHDTIEE-BPGUCPLFSA-N
MW373.54 g/mol
LogP4.61
Rot. Bonds10

About 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate

2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate (PubChem CID 142059647) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
PubChem CID142059647
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
SMILESCCC(CC)CC(=O)C1CC[C@H](C(=O)OCC(C)C)N1Cc1ccccc1
InChIInChI=1S/C23H35NO3/c1-5-18(6-2)14-22(25)20-12-13-21(23(26)27-16-17(3)4)24(20)15-19-10-8-7-9-11-19/h7-11,17-18,20-21H,5-6,12-16H2,1-4H3/t20?,21-/m1/s1
InChIKeyMWBQOYSDHDTIEE-BPGUCPLFSA-N
XLogP4.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,5S)-1-benzyl-5-carbamoylpyrrolidine-2-carboxylate
CID 57408622
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
dibenzyl 1-benzylazetidine-2,4-dicarboxylate
CID 14654391
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
(2R,4S)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylic acid
CID 69447000
2-O-benzyl 4-O-tert-butyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654390
ethyl (5S)-1-benzyl-5-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxylate
CID 90809176
3-benzyl-1-cyclopropylpentan-1-one
CID 142258959
(2R,4R)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylate
CID 71445283
2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate
CID 75373371

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate (CID 142059647) is 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate is CCC(CC)CC(=O)C1CC[C@H](C(=O)OCC(C)C)N1Cc1ccccc1.
What is the InChIKey of 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
The InChIKey is MWBQOYSDHDTIEE-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H35NO3/c1-5-18(6-2)14-22(25)20-12-13-21(23(26)27-16-17(3)4)24(20)15-19-10-8-7-9-11-19/h7-11,17-18,20-21H,5-6,12-16H2,1-4H3/t20?,21-/m1/s1.
What are the key properties of 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate has a molecular weight of 373.54 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 142059647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).