[(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid

C6H11NO3 — CID 156565548

IUPAC[(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid
SMILESC/C(=C/CO)CNC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(2-3-8)4-7-6(9)10/h2,7-8H,3-4H2,1H3,(H,9,10)/b5-2-
InChIKeyHOWGUHBWNPKSFH-DJWKRKHSSA-N
MW145.16 g/mol
LogP0.19
Rot. Bonds3

About [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid

[(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid (PubChem CID 156565548) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid
PubChem CID156565548
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid
SMILESC/C(=C/CO)CNC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(2-3-8)4-7-6(9)10/h2,7-8H,3-4H2,1H3,(H,9,10)/b5-2-
InChIKeyHOWGUHBWNPKSFH-DJWKRKHSSA-N
XLogP0.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid?
The IUPAC name of [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid (CID 156565548) is [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid.
What is the SMILES notation for [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid?
The canonical SMILES for [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid is C/C(=C/CO)CNC(=O)O.
What is the InChIKey of [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid?
The InChIKey is HOWGUHBWNPKSFH-DJWKRKHSSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2-3-8)4-7-6(9)10/h2,7-8H,3-4H2,1H3,(H,9,10)/b5-2-.
What are the key properties of [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid?
[(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-hydroxy-2-methylbut-2-enyl]carbamic acid is sourced from PubChem (CID 156565548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).