benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate

C14H19NO4 — CID 58120009

IUPACbenzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
SMILESCON(C)C(=O)[C@H](C)CC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(14(17)15(2)18-3)9-13(16)19-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyLANALLGQKAMEOV-LLVKDONJSA-N
MW265.31 g/mol
LogP1.78
Rot. Bonds6

About benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate

benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate (PubChem CID 58120009) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
PubChem CID58120009
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
SMILESCON(C)C(=O)[C@H](C)CC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(14(17)15(2)18-3)9-13(16)19-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyLANALLGQKAMEOV-LLVKDONJSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[methoxy(methyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 22134570
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
benzyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10469699
benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate
CID 163255717
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 3-hydroxybutanoate
CID 562226
benzyl 5-amino-3-methyl-4-oxopentanoate;hydrochloride
CID 174448804
benzyl 2-[(2R,3S)-3-amino-1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]oxyacetate;hydrochloride
CID 86584507
benzyl 4-amino-3-methylpentanoate
CID 174893438
dibenzyl 3-hydroxypentanedioate
CID 23067924
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
dibenzyl (2S)-2-(methoxyamino)butanedioate
CID 139710290

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate?
The IUPAC name of benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate (CID 58120009) is benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate.
What is the SMILES notation for benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate?
The canonical SMILES for benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate is CON(C)C(=O)[C@H](C)CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate?
The InChIKey is LANALLGQKAMEOV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(14(17)15(2)18-3)9-13(16)19-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate?
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate has a molecular weight of 265.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate is sourced from PubChem (CID 58120009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).