phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate

C12H17NO3 — CID 756497

IUPACphenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(2)11(8-14)13-12(15)16-10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyCZHJJNISERSIIQ-LLVKDONJSA-N
MW223.27 g/mol
LogP1.79
Rot. Bonds4

About phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate

phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 756497) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID756497
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namephenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(2)11(8-14)13-12(15)16-10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyCZHJJNISERSIIQ-LLVKDONJSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 756497) is phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate is CC(C)[C@@H](CO)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is CZHJJNISERSIIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)11(8-14)13-12(15)16-10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 756497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).