(2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one

C9H20N2O3 — CID 159356389

IUPAC(2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H](N)CO.CC[C@@H]1COC(=O)N1
InChIInChI=1S/C5H9NO2.C4H11NO/c1-2-4-3-8-5(7)6-4;1-2-4(5)3-6/h4H,2-3H2,1H3,(H,6,7);4,6H,2-3,5H2,1H3/t2*4-/m11/s1
InChIKeyLHYYIZRGDPGBMP-DGPROHSZSA-N
MW204.27 g/mol
LogP0.22
Rot. Bonds3

About (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one

(2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 159356389) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one
PubChem CID159356389
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H](N)CO.CC[C@@H]1COC(=O)N1
InChIInChI=1S/C5H9NO2.C4H11NO/c1-2-4-3-8-5(7)6-4;1-2-4(5)3-6/h4H,2-3H2,1H3,(H,6,7);4,6H,2-3,5H2,1H3/t2*4-/m11/s1
InChIKeyLHYYIZRGDPGBMP-DGPROHSZSA-N
XLogP0.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one
CID 90284378
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
1-O-ethyl 4-O-[(2-oxo-1,3-oxazolidin-4-yl)methyl] (E)-but-2-enedioate
CID 122480493
(4S)-4-(cyclopropylmethyl)-1,3-oxazolidin-2-one
CID 67033996
(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 90304699
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 139668969
(5R,14R)-5,14-diethyl-3,16-dioxa-21,22-dithia-6,13-diazatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-2,7,12,17-tetrone
CID 11465101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one (CID 159356389) is (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one is CC[C@@H](N)CO.CC[C@@H]1COC(=O)N1.
What is the InChIKey of (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is LHYYIZRGDPGBMP-DGPROHSZSA-N. The full InChI is InChI=1S/C5H9NO2.C4H11NO/c1-2-4-3-8-5(7)6-4;1-2-4(5)3-6/h4H,2-3H2,1H3,(H,6,7);4,6H,2-3,5H2,1H3/t2*4-/m11/s1.
What are the key properties of (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one?
(2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutan-1-ol;(4R)-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159356389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).