(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide

C8H15N3O3 — CID 79523392

IUPAC(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
SMILESCC(C)[C@H](N)C(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C8H15N3O3/c1-4(2)6(9)8(13)10-5-3-14-11-7(5)12/h4-6H,3,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,6+/m1/s1
InChIKeyIVAIOQRYVACKBG-RITPCOANSA-N
MW201.23 g/mol
LogP-1.48
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide

(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide (PubChem CID 79523392) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
PubChem CID79523392
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
SMILESCC(C)[C@H](N)C(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C8H15N3O3/c1-4(2)6(9)8(13)10-5-3-14-11-7(5)12/h4-6H,3,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,6+/m1/s1
InChIKeyIVAIOQRYVACKBG-RITPCOANSA-N
XLogP-1.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide (CID 79523392) is (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide is CC(C)[C@H](N)C(=O)N[C@@H]1CONC1=O.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide?
The InChIKey is IVAIOQRYVACKBG-RITPCOANSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-4(2)6(9)8(13)10-5-3-14-11-7(5)12/h4-6H,3,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,6+/m1/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide?
(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide has a molecular weight of 201.23 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide is sourced from PubChem (CID 79523392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).