(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C10H17NO4 — CID 18646911

IUPAC(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC[C@H](O)[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-5-8(12)7-6-15-10(2,3)11(7)9(13)14/h4,7-8,12H,1,5-6H2,2-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyHOKSPHIOBIEFKS-YUMQZZPRSA-N
MW215.25 g/mol
LogP1.04
Rot. Bonds3

About (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 18646911) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID18646911
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC[C@H](O)[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-5-8(12)7-6-15-10(2,3)11(7)9(13)14/h4,7-8,12H,1,5-6H2,2-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyHOKSPHIOBIEFKS-YUMQZZPRSA-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 (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 18646911) is (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is C=CC[C@H](O)[C@@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is HOKSPHIOBIEFKS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-5-8(12)7-6-15-10(2,3)11(7)9(13)14/h4,7-8,12H,1,5-6H2,2-3H3,(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic 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 (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 18646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).