[(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid

C8H13NO3 — CID 146627798

IUPAC[(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid
SMILESC=CCN(C[C@H](O)C=C)C(=O)O
InChIInChI=1S/C8H13NO3/c1-3-5-9(8(11)12)6-7(10)4-2/h3-4,7,10H,1-2,5-6H2,(H,11,12)/t7-/m1/s1
InChIKeyYFPIEEDXOQLURC-SSDOTTSWSA-N
MW171.20 g/mol
LogP0.70
Rot. Bonds5

About [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid

[(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid (PubChem CID 146627798) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid.

Molecular Properties

Compound Name[(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid
PubChem CID146627798
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name[(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid
SMILESC=CCN(C[C@H](O)C=C)C(=O)O
InChIInChI=1S/C8H13NO3/c1-3-5-9(8(11)12)6-7(10)4-2/h3-4,7,10H,1-2,5-6H2,(H,11,12)/t7-/m1/s1
InChIKeyYFPIEEDXOQLURC-SSDOTTSWSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid?
The IUPAC name of [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid (CID 146627798) is [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid.
What is the SMILES notation for [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid?
The canonical SMILES for [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid is C=CCN(C[C@H](O)C=C)C(=O)O.
What is the InChIKey of [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid?
The InChIKey is YFPIEEDXOQLURC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-5-9(8(11)12)6-7(10)4-2/h3-4,7,10H,1-2,5-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid?
[(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid has a molecular weight of 171.20 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxybut-3-enyl]-prop-2-enylcarbamic acid is sourced from PubChem (CID 146627798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).