(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one

C12H24N2O2 — CID 11229929

IUPAC(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](NN1C(=O)OC[C@@H]1C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-6-10(8(2)3)13-14-11(9(4)5)7-16-12(14)15/h8-11,13H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyRQUSRJMTZGQTFY-GHMZBOCLSA-N
MW228.34 g/mol
LogP2.40
Rot. Bonds5

About (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11229929) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11229929
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](NN1C(=O)OC[C@@H]1C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-6-10(8(2)3)13-14-11(9(4)5)7-16-12(14)15/h8-11,13H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyRQUSRJMTZGQTFY-GHMZBOCLSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11229929) is (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](NN1C(=O)OC[C@@H]1C(C)C)C(C)C.
What is the InChIKey of (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RQUSRJMTZGQTFY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-10(8(2)3)13-14-11(9(4)5)7-16-12(14)15/h8-11,13H,6-7H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11229929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).