[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid

C11H18N2O4 — CID 67537476

IUPAC[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)CNC(=O)O
InChIInChI=1S/C11H18N2O4/c1-4-5-8-7-17-11(2,3)13(8)9(14)6-12-10(15)16/h4,8,12H,1,5-7H2,2-3H3,(H,15,16)/t8-/m0/s1
InChIKeyJFYXPMQGBJEWLR-QMMMGPOBSA-N
MW242.27 g/mol
LogP0.79
Rot. Bonds4

About [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid

[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid (PubChem CID 67537476) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid
PubChem CID67537476
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)CNC(=O)O
InChIInChI=1S/C11H18N2O4/c1-4-5-8-7-17-11(2,3)13(8)9(14)6-12-10(15)16/h4,8,12H,1,5-7H2,2-3H3,(H,15,16)/t8-/m0/s1
InChIKeyJFYXPMQGBJEWLR-QMMMGPOBSA-N
XLogP0.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.79
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 [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid (CID 67537476) is [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid is C=CC[C@H]1COC(C)(C)N1C(=O)CNC(=O)O.
What is the InChIKey of [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid?
The InChIKey is JFYXPMQGBJEWLR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-5-8-7-17-11(2,3)13(8)9(14)6-12-10(15)16/h4,8,12H,1,5-7H2,2-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid?
[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid has a molecular weight of 242.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 67537476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).