benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate

C13H16N2O2 — CID 70119870

IUPACbenzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate
SMILESC[C@H](CC#N)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-11(7-8-14)9-15-13(16)17-10-12-5-3-2-4-6-12/h2-6,11H,7,9-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyDKJAYFXURUIONI-LLVKDONJSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds5

About benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate

benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate (PubChem CID 70119870) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate
PubChem CID70119870
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namebenzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate
SMILESC[C@H](CC#N)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-11(7-8-14)9-15-13(16)17-10-12-5-3-2-4-6-12/h2-6,11H,7,9-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyDKJAYFXURUIONI-LLVKDONJSA-N
XLogP2.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936
(2R)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid
CID 12771374
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(2S)-4-imino-2-methylbutyl]carbamate
CID 174656098
benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate?
The IUPAC name of benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate (CID 70119870) is benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate is C[C@H](CC#N)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate?
The InChIKey is DKJAYFXURUIONI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-11(7-8-14)9-15-13(16)17-10-12-5-3-2-4-6-12/h2-6,11H,7,9-10H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate?
benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate is sourced from PubChem (CID 70119870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).