methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate

C15H20N2O3 — CID 134859974

IUPACmethyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CCN)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-20-14(19)15(9-10-16)8-5-11-17(15)13(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,16H2,1H3
InChIKeyWATBJNRRIAELLE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate

methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate (PubChem CID 134859974) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate
PubChem CID134859974
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CCN)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-20-14(19)15(9-10-16)8-5-11-17(15)13(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,16H2,1H3
InChIKeyWATBJNRRIAELLE-UHFFFAOYSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
1-O-tert-butyl 2-O-methyl 2-(3-phenoxypropyl)pyrrolidine-1,2-dicarboxylate
CID 113345952
methyl (2S)-2-ethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 67272370
methyl 1-benzoyl-4-deuterio-2-prop-2-enylazetidine-2-carboxylate
CID 10635081
2-butyl-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 142762998
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
1-(4-cyanobenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167962167
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
1-O-benzyl 2-O-methyl (2R)-2-[(E)-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 134969660
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 115266990

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate (CID 134859974) is methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate is COC(=O)C1(CCN)CCCN1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate?
The InChIKey is WATBJNRRIAELLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-14(19)15(9-10-16)8-5-11-17(15)13(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,16H2,1H3.
What are the key properties of methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate?
methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 134859974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).