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

C10H19N2O2+ — CID 59396010

IUPAC[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C[NH3+]
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/p+1/t8-/m0/s1
InChIKeyCGNFBQCXHRXFRR-QMMMGPOBSA-O
MW199.27 g/mol
LogP-0.23
Rot. Bonds3

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

[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium (PubChem CID 59396010) has the molecular formula C10H19N2O2+ and a molecular weight of 199.27 g/mol. Its IUPAC name is [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium
PubChem CID59396010
Molecular FormulaC10H19N2O2+
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C[NH3+]
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/p+1/t8-/m0/s1
InChIKeyCGNFBQCXHRXFRR-QMMMGPOBSA-O
XLogP-0.23
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium with MolForge

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Related Compounds

1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396003
2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 59396011
1,1-dimethylethyl {2-[(4S)-2,2-dimethyl-4-(2-propen-1-yl)-1,3-oxazolidin-3-yl]-2-oxoethyl}carbamate
CID 59396014
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396030
[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid
CID 67537476
[2-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)-2-oxoethyl]azanium
CID 72287424
2-Amino-1-(2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)ethanone
CID 72287425
tert-butyl N-[2-(2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate
CID 72287427
1-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)propan-1-one
CID 72287438
2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium
CID 87085986
2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 87088657
(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate
CID 87499463

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]azanium?
The IUPAC name of [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium (CID 59396010) is [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium?
The canonical SMILES for [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium is C=CC[C@H]1COC(C)(C)N1C(=O)C[NH3+].
What is the InChIKey of [2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium?
The InChIKey is CGNFBQCXHRXFRR-QMMMGPOBSA-O. 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/p+1/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]azanium?
[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium has a molecular weight of 199.27 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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]azanium is sourced from PubChem (CID 59396010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).