2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone

C10H18N2O2 — CID 59396011

IUPAC2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)CN
InChIInChI=1S/C10H18N2O2/c1-4-5-8-7-14-10(2,3)12(8)9(13)6-11/h4,8H,1,5-7,11H2,2-3H3/t8-/m0/s1
InChIKeyCGNFBQCXHRXFRR-QMMMGPOBSA-N
MW198.27 g/mol
LogP0.48
Rot. Bonds3

About 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone

2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 59396011) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID59396011
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)CN
InChIInChI=1S/C10H18N2O2/c1-4-5-8-7-14-10(2,3)12(8)9(13)6-11/h4,8H,1,5-7,11H2,2-3H3/t8-/m0/s1
InChIKeyCGNFBQCXHRXFRR-QMMMGPOBSA-N
XLogP0.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
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-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (CID 59396011) is 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is C=CC[C@H]1COC(C)(C)N1C(=O)CN.
What is the InChIKey of 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is CGNFBQCXHRXFRR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-8-7-14-10(2,3)12(8)9(13)6-11/h4,8H,1,5-7,11H2,2-3H3/t8-/m0/s1.
What are the key properties of 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 198.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 59396011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).