(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one

C7H14N2O2 — CID 132500259

IUPAC(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1N
InChIInChI=1S/C7H14N2O2/c1-7(2,3)5-4-11-6(10)9(5)8/h5H,4,8H2,1-3H3/t5-/m1/s1
InChIKeyVAEKWYHYHUDOJV-RXMQYKEDSA-N
MW158.20 g/mol
LogP0.73
Rot. Bonds

About (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one

(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one (PubChem CID 132500259) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one
PubChem CID132500259
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1N
InChIInChI=1S/C7H14N2O2/c1-7(2,3)5-4-11-6(10)9(5)8/h5H,4,8H2,1-3H3/t5-/m1/s1
InChIKeyVAEKWYHYHUDOJV-RXMQYKEDSA-N
XLogP0.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 10584218
3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 85312124
(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10909689
2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride
CID 10751371
(4S)-4-tert-butyl-3-[(E)-4-methylpent-2-enoyl]-1,3-oxazolidin-2-one
CID 11310985
(4S)-4-tert-butyl-3-[(3S)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102237784
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
N-(4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 140849838
(3S)-3-tert-butyl-4-propan-2-yl-1,4-oxazepan-7-one
CID 171587855
(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
CID 101342379
3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 144814207
(5S,9S)-5,9-ditert-butyl-7-hydroxy-3,11-dioxa-6,8-diaza-7λ5-phosphatricyclo[6.3.0.02,6]undec-1-ene 7-oxide
CID 149154099

Frequently Asked Questions

What is the IUPAC name of (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one (CID 132500259) is (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one is CC(C)(C)[C@H]1COC(=O)N1N.
What is the InChIKey of (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one?
The InChIKey is VAEKWYHYHUDOJV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(2,3)5-4-11-6(10)9(5)8/h5H,4,8H2,1-3H3/t5-/m1/s1.
What are the key properties of (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one?
(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132500259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).