(3-hydroxy-3-methylbutan-2-yl) carbamate

C6H13NO3 — CID 87780705

IUPAC(3-hydroxy-3-methylbutan-2-yl) carbamate
SMILESCC(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)
InChIKeyXDZKYWNQUZIDIP-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.24
Rot. Bonds2

About (3-hydroxy-3-methylbutan-2-yl) carbamate

(3-hydroxy-3-methylbutan-2-yl) carbamate (PubChem CID 87780705) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3-hydroxy-3-methylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-3-methylbutan-2-yl) carbamate
PubChem CID87780705
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3-hydroxy-3-methylbutan-2-yl) carbamate
SMILESCC(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)
InChIKeyXDZKYWNQUZIDIP-UHFFFAOYSA-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 (3-hydroxy-3-methylbutan-2-yl) carbamate?
The IUPAC name of (3-hydroxy-3-methylbutan-2-yl) carbamate (CID 87780705) is (3-hydroxy-3-methylbutan-2-yl) carbamate.
What is the SMILES notation for (3-hydroxy-3-methylbutan-2-yl) carbamate?
The canonical SMILES for (3-hydroxy-3-methylbutan-2-yl) carbamate is CC(OC(N)=O)C(C)(C)O.
What is the InChIKey of (3-hydroxy-3-methylbutan-2-yl) carbamate?
The InChIKey is XDZKYWNQUZIDIP-UHFFFAOYSA-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).
What are the key properties of (3-hydroxy-3-methylbutan-2-yl) carbamate?
(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 (3-hydroxy-3-methylbutan-2-yl) carbamate is sourced from PubChem (CID 87780705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).