benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate

C20H28N2O4 — CID 126732277

IUPACbenzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCCCC1(C(C)=O)CCCN1C(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H28N2O4/c1-4-11-20(16(3)23)12-8-13-22(20)18(24)15(2)21-19(25)26-14-17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3,(H,21,25)/t15-,20?/m0/s1
InChIKeyLRMWLINKAWSUNM-OOJLDXBWSA-N
MW360.45 g/mol
LogP3.05
Rot. Bonds7

About benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 126732277) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID126732277
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namebenzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCCCC1(C(C)=O)CCCN1C(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H28N2O4/c1-4-11-20(16(3)23)12-8-13-22(20)18(24)15(2)21-19(25)26-14-17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3,(H,21,25)/t15-,20?/m0/s1
InChIKeyLRMWLINKAWSUNM-OOJLDXBWSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-[(2S)-2-methyl-2-(methylcarbamoyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 44520483
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)carbamate
CID 22592468
benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
CID 93481132
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
pyrrolidin-1-yl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 67865153
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 158177775
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 131632935

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate (CID 126732277) is benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate is CCCC1(C(C)=O)CCCN1C(=O)[C@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is LRMWLINKAWSUNM-OOJLDXBWSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-11-20(16(3)23)12-8-13-22(20)18(24)15(2)21-19(25)26-14-17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3,(H,21,25)/t15-,20?/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 360.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(2-acetyl-2-propylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 126732277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).