(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one

C8H15NO4 — CID 130978098

IUPAC(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)[C@@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C8H15NO4/c1-4(2)6(10)7(11)5-3-13-8(12)9-5/h4-7,10-11H,3H2,1-2H3,(H,9,12)/t5-,6+,7-/m0/s1
InChIKeyAMUNUOIQMYLEOD-XVMARJQXSA-N
MW189.21 g/mol
LogP-0.53
Rot. Bonds3

About (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one

(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one (PubChem CID 130978098) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
PubChem CID130978098
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)[C@@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C8H15NO4/c1-4(2)6(10)7(11)5-3-13-8(12)9-5/h4-7,10-11H,3H2,1-2H3,(H,9,12)/t5-,6+,7-/m0/s1
InChIKeyAMUNUOIQMYLEOD-XVMARJQXSA-N
XLogP-0.53
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one
CID 139252385
(4R)-4-[(R)-(4-hydroxyphenyl)-phenylmethyl]-1,3-oxazolidin-2-one
CID 141261165
(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
CID 101398831
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
CID 143059431
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 163182640
(6Z)-3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 146683461
benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10958326
(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one (CID 130978098) is (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one is CC(C)[C@@H](O)[C@@H](O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one?
The InChIKey is AMUNUOIQMYLEOD-XVMARJQXSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4(2)6(10)7(11)5-3-13-8(12)9-5/h4-7,10-11H,3H2,1-2H3,(H,9,12)/t5-,6+,7-/m0/s1.
What are the key properties of (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one?
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one has a molecular weight of 189.21 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130978098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).