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

C9H17N3O3 — CID 79523299

IUPAC(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C9H17N3O3/c1-3-5(2)7(10)9(14)11-6-4-15-12-8(6)13/h5-7H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)/t5?,6-,7+/m1/s1
InChIKeyQOBNEIVBRVNREA-FWPZAIACSA-N
MW215.25 g/mol
LogP-1.09
Rot. Bonds4

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

(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide (PubChem CID 79523299) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
PubChem CID79523299
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C9H17N3O3/c1-3-5(2)7(10)9(14)11-6-4-15-12-8(6)13/h5-7H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)/t5?,6-,7+/m1/s1
InChIKeyQOBNEIVBRVNREA-FWPZAIACSA-N
XLogP-1.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-1,2-oxazolidin-4-yl)cyclohexanecarboxamide
CID 44378992
4-[(4-Methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one
CID 123430362
4-methyl-N-(3-oxo-1,2-oxazolidin-4-yl)pyrrolidine-2-carboxamide
CID 123844142
N-(3-oxo-1,2-oxazolidin-4-yl)octanamide
CID 126506654
4-Propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one
CID 138496089
(2S,4S)-N-methoxy-N,4-dimethylpyrrolidine-2-carboxamide
CID 140308779
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[2-(ethoxyamino)propanoyl]pyrrolidine-2-carboxamide
CID 144453670
N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 146312735
ethane;N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 153395469
N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2,2-dimethylpropanamide
CID 159860225
N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2,2-dimethylpropanamide
CID 159860226
N-[(4S)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2,2-dimethylpropanamide
CID 159860227

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide (CID 79523299) is (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide is CCC(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]pentanamide?
The InChIKey is QOBNEIVBRVNREA-FWPZAIACSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-5(2)7(10)9(14)11-6-4-15-12-8(6)13/h5-7H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)/t5?,6-,7+/m1/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide?
(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide has a molecular weight of 215.25 g/mol, XLogP of -1.09, 4 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]pentanamide is sourced from PubChem (CID 79523299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).