benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate

C19H28N2O2 — CID 146289764

IUPACbenzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate
SMILESCC(C)N1CCCC2C1CN2C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O2/c1-14(2)20-11-7-10-17-18(20)12-21(17)15(3)19(22)23-13-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3
InChIKeyULUZFWBXUDQUQX-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.68
Rot. Bonds5

About benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate

benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate (PubChem CID 146289764) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate
PubChem CID146289764
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namebenzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate
SMILESCC(C)N1CCCC2C1CN2C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O2/c1-14(2)20-11-7-10-17-18(20)12-21(17)15(3)19(22)23-13-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3
InChIKeyULUZFWBXUDQUQX-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate with MolForge

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Related Compounds

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CID 174258999
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benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
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benzyl 3-(azocan-1-yl)-2-methylpropanoate
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CID 59779045
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
benzyl 2-(cyclopentylamino)propanoate
CID 123711216

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate?
The IUPAC name of benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate (CID 146289764) is benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate.
What is the SMILES notation for benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate?
The canonical SMILES for benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate is CC(C)N1CCCC2C1CN2C(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate?
The InChIKey is ULUZFWBXUDQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)20-11-7-10-17-18(20)12-21(17)15(3)19(22)23-13-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3.
What are the key properties of benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate?
benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate has a molecular weight of 316.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate is sourced from PubChem (CID 146289764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).