(4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

C10H17N3O4 — CID 170794515

IUPAC(4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)[C@@H]1COC(=O)N1)C(C)C
InChIInChI=1S/C10H17N3O4/c1-5(2)7(9(15)11-3)13-8(14)6-4-17-10(16)12-6/h5-7H,4H2,1-3H3,(H,11,15)(H,12,16)(H,13,14)/t6-,7-/m0/s1
InChIKeyVEMVDNCTFBAMSP-BQBZGAKWSA-N
MW243.26 g/mol
LogP-1.02
Rot. Bonds4

About (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 170794515) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID170794515
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)[C@@H]1COC(=O)N1)C(C)C
InChIInChI=1S/C10H17N3O4/c1-5(2)7(9(15)11-3)13-8(14)6-4-17-10(16)12-6/h5-7H,4H2,1-3H3,(H,11,15)(H,12,16)(H,13,14)/t6-,7-/m0/s1
InChIKeyVEMVDNCTFBAMSP-BQBZGAKWSA-N
XLogP-1.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189
(1R,3S,4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 139438576
2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide
CID 110649863
N-cycloheptyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110649220
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 140773335
(4S)-2-oxo-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]-1,3-oxazolidine-4-carboxamide
CID 162411069
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71328856
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 170794515) is (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is CNC(=O)[C@@H](NC(=O)[C@@H]1COC(=O)N1)C(C)C.
What is the InChIKey of (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is VEMVDNCTFBAMSP-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-5(2)7(9(15)11-3)13-8(14)6-4-17-10(16)12-6/h5-7H,4H2,1-3H3,(H,11,15)(H,12,16)(H,13,14)/t6-,7-/m0/s1.
What are the key properties of (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 170794515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).