[(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid

C10H17NO4 — CID 68764877

IUPAC[(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid
SMILESC=CCC1(O)CC[C@@H](N(C)C(=O)O)CO1
InChIInChI=1S/C10H17NO4/c1-3-5-10(14)6-4-8(7-15-10)11(2)9(12)13/h3,8,14H,1,4-7H2,2H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyDEUAZSGSIHKADH-HNHGDDPOSA-N
MW215.25 g/mol
LogP1.04
Rot. Bonds3

About [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid

[(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid (PubChem CID 68764877) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid
PubChem CID68764877
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid
SMILESC=CCC1(O)CC[C@@H](N(C)C(=O)O)CO1
InChIInChI=1S/C10H17NO4/c1-3-5-10(14)6-4-8(7-15-10)11(2)9(12)13/h3,8,14H,1,4-7H2,2H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyDEUAZSGSIHKADH-HNHGDDPOSA-N
XLogP1.04
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid?
The IUPAC name of [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid (CID 68764877) is [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid.
What is the SMILES notation for [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid?
The canonical SMILES for [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid is C=CCC1(O)CC[C@@H](N(C)C(=O)O)CO1.
What is the InChIKey of [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid?
The InChIKey is DEUAZSGSIHKADH-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-5-10(14)6-4-8(7-15-10)11(2)9(12)13/h3,8,14H,1,4-7H2,2H3,(H,12,13)/t8-,10?/m1/s1.
What are the key properties of [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid?
[(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid has a molecular weight of 215.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-hydroxy-6-prop-2-enyloxan-3-yl]-methylcarbamic acid is sourced from PubChem (CID 68764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).