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

C6H13NO3 — CID 87780704

IUPAC[(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate
SMILESC[C@H](OC(N)=O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-4(6(2,3)9)10-5(7)8/h4,9H,1-3H3,(H2,7,8)/t4-/m0/s1
InChIKeyXDZKYWNQUZIDIP-BYPYZUCNSA-N
MW147.17 g/mol
LogP0.24
Rot. Bonds2

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

[(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate (PubChem CID 87780704) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate
PubChem CID87780704
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate
SMILESC[C@H](OC(N)=O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-4(6(2,3)9)10-5(7)8/h4,9H,1-3H3,(H2,7,8)/t4-/m0/s1
InChIKeyXDZKYWNQUZIDIP-BYPYZUCNSA-N
XLogP0.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate?
The IUPAC name of [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate (CID 87780704) is [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate.
What is the SMILES notation for [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate?
The canonical SMILES for [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate is C[C@H](OC(N)=O)C(C)(C)O.
What is the InChIKey of [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate?
The InChIKey is XDZKYWNQUZIDIP-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(6(2,3)9)10-5(7)8/h4,9H,1-3H3,(H2,7,8)/t4-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate?
[(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate is sourced from PubChem (CID 87780704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).