benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate

C19H26N2O5 — CID 10690022

IUPACbenzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O
InChIInChI=1S/C19H26N2O5/c1-13(2)10-16(18(23)20-15-8-9-25-12-17(15)22)21-19(24)26-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1
InChIKeyQURFFOZMRDDRRV-LYKKTTPLSA-N
MW362.43 g/mol
LogP1.80
Rot. Bonds7

About benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate

benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate (PubChem CID 10690022) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate
PubChem CID10690022
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namebenzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O
InChIInChI=1S/C19H26N2O5/c1-13(2)10-16(18(23)20-15-8-9-25-12-17(15)22)21-19(24)26-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1
InChIKeyQURFFOZMRDDRRV-LYKKTTPLSA-N
XLogP1.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate (CID 10690022) is benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O.
What is the InChIKey of benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate?
The InChIKey is QURFFOZMRDDRRV-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13(2)10-16(18(23)20-15-8-9-25-12-17(15)22)21-19(24)26-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1.
What are the key properties of benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate?
benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 10690022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).