benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C24H29N3O5 — CID 23316648

IUPACbenzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESNC(=O)COCC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H29N3O5/c25-22(28)17-31-16-20(14-18-8-3-1-4-9-18)26-23(29)21-12-7-13-27(21)24(30)32-15-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H2,25,28)(H,26,29)
InChIKeyMKUZMWODXPJNGG-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.02
Rot. Bonds10

About benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 23316648) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID23316648
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Namebenzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESNC(=O)COCC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H29N3O5/c25-22(28)17-31-16-20(14-18-8-3-1-4-9-18)26-23(29)21-12-7-13-27(21)24(30)32-15-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H2,25,28)(H,26,29)
InChIKeyMKUZMWODXPJNGG-UHFFFAOYSA-N
XLogP2.02
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl (2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
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benzyl (2S)-2-[[(2S)-1-[(2-ethoxy-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 21142141
benzyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 23316648) is benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is NC(=O)COCC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is MKUZMWODXPJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c25-22(28)17-31-16-20(14-18-8-3-1-4-9-18)26-23(29)21-12-7-13-27(21)24(30)32-15-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H2,25,28)(H,26,29).
What are the key properties of benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-(2-amino-2-oxoethoxy)-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 23316648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).