methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate

C12H23NO5 — CID 104644259

IUPACmethyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(C)(O)C(=O)OC
InChIInChI=1S/C12H23NO5/c1-8(2)6-9(10(14)17-4)13-7-12(3,16)11(15)18-5/h8-9,13,16H,6-7H2,1-5H3
InChIKeyYFFLHFBRAKKOBZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.09
Rot. Bonds7

About methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate

methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate (PubChem CID 104644259) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
PubChem CID104644259
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(C)(O)C(=O)OC
InChIInChI=1S/C12H23NO5/c1-8(2)6-9(10(14)17-4)13-7-12(3,16)11(15)18-5/h8-9,13,16H,6-7H2,1-5H3
InChIKeyYFFLHFBRAKKOBZ-UHFFFAOYSA-N
XLogP0.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
tert-butyl (2S)-2-(2,2-dimethylpropylamino)-4-methylpentanoate
CID 86641982
tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
CID 97308748
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate
CID 63900664
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate (CID 104644259) is methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate?
The InChIKey is YFFLHFBRAKKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-8(2)6-9(10(14)17-4)13-7-12(3,16)11(15)18-5/h8-9,13,16H,6-7H2,1-5H3.
What are the key properties of methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate?
methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate has a molecular weight of 261.32 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate is sourced from PubChem (CID 104644259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).