[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid

C6H13NO3 — CID 129021869

IUPAC[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-4(6(2,3)10)7-5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1
InChIKeyMFHZPDSOQGIFTM-SCSAIBSYSA-N
MW147.17 g/mol
LogP0.41
Rot. Bonds2

About [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid

[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid (PubChem CID 129021869) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
PubChem CID129021869
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-4(6(2,3)10)7-5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1
InChIKeyMFHZPDSOQGIFTM-SCSAIBSYSA-N
XLogP0.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid (CID 129021869) is [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid is C[C@@H](NC(=O)O)C(C)(C)O.
What is the InChIKey of [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
The InChIKey is MFHZPDSOQGIFTM-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(6(2,3)10)7-5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1.
What are the key properties of [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid has a molecular weight of 147.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 129021869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).