benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C23H25N3O5 — CID 139248277

IUPACbenzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESC[C@@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C23H25N3O5/c1-23(13-12-19(27)25-21(23)29)26-20(28)18(14-16-8-4-2-5-9-16)24-22(30)31-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,24,30)(H,26,28)(H,25,27,29)/t18-,23+/m0/s1
InChIKeyXPZRJUMWVMJYLZ-FDDCHVKYSA-N
MW423.47 g/mol
LogP1.84
Rot. Bonds7

About benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 139248277) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID139248277
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namebenzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESC[C@@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C23H25N3O5/c1-23(13-12-19(27)25-21(23)29)26-20(28)18(14-16-8-4-2-5-9-16)24-22(30)31-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,24,30)(H,26,28)(H,25,27,29)/t18-,23+/m0/s1
InChIKeyXPZRJUMWVMJYLZ-FDDCHVKYSA-N
XLogP1.84
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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(3S)-4-[[(2S)-1-[[(2S)-1-[(2S)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 139248277) is benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is C[C@@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCC(=O)NC1=O.
What is the InChIKey of benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is XPZRJUMWVMJYLZ-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-23(13-12-19(27)25-21(23)29)26-20(28)18(14-16-8-4-2-5-9-16)24-22(30)31-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,24,30)(H,26,28)(H,25,27,29)/t18-,23+/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 139248277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).