ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate

C17H26N2O2 — CID 60796783

IUPACethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
SMILESCCCNC1(C(=O)OCC)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-18-17(16(20)21-4-2)10-12-19(14-17)13-15-8-6-5-7-9-15/h5-9,18H,3-4,10-14H2,1-2H3
InChIKeyBYYLCUNEROHOCH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds7

About ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate

ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate (PubChem CID 60796783) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
PubChem CID60796783
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
SMILESCCCNC1(C(=O)OCC)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-18-17(16(20)21-4-2)10-12-19(14-17)13-15-8-6-5-7-9-15/h5-9,18H,3-4,10-14H2,1-2H3
InChIKeyBYYLCUNEROHOCH-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
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ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
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ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
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ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
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ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
CID 88579615
CID 88579615
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
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ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate (CID 60796783) is ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate is CCCNC1(C(=O)OCC)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate?
The InChIKey is BYYLCUNEROHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-18-17(16(20)21-4-2)10-12-19(14-17)13-15-8-6-5-7-9-15/h5-9,18H,3-4,10-14H2,1-2H3.
What are the key properties of ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate?
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 60796783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).