tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate

C11H23NO3 — CID 59021635

IUPACtert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate
SMILESCNC(C)[C@@H](CC(=O)OC(C)(C)C)OC
InChIInChI=1S/C11H23NO3/c1-8(12-5)9(14-6)7-10(13)15-11(2,3)4/h8-9,12H,7H2,1-6H3/t8?,9-/m1/s1
InChIKeyYHSMDHCANJVWRR-YGPZHTELSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds5

About tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate

tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate (PubChem CID 59021635) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate
PubChem CID59021635
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate
SMILESCNC(C)[C@@H](CC(=O)OC(C)(C)C)OC
InChIInChI=1S/C11H23NO3/c1-8(12-5)9(14-6)7-10(13)15-11(2,3)4/h8-9,12H,7H2,1-6H3/t8?,9-/m1/s1
InChIKeyYHSMDHCANJVWRR-YGPZHTELSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
CID 14730240
tert-butyl (3R,4S)-4-[chloro(methyl)amino]-3-methoxypentanoate
CID 89318052
tert-butyl (3S,4S,5S)-4-amino-3-methoxy-5-methylheptanoate
CID 126961489
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl (3R,4S,5S)-4-[chloro(methyl)amino]-3-methoxy-5-methylheptanoate
CID 89318075
(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58289532
(2S)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 134129434
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoate
CID 142406782
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
5-O-tert-butyl 1-O-methyl (3R)-3-(2-methylpropyl)pentanedioate
CID 86625413
tert-butyl (3R)-3-methylpentanoate
CID 158245009

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate?
The IUPAC name of tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate (CID 59021635) is tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate.
What is the SMILES notation for tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate?
The canonical SMILES for tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate is CNC(C)[C@@H](CC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate?
The InChIKey is YHSMDHCANJVWRR-YGPZHTELSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(12-5)9(14-6)7-10(13)15-11(2,3)4/h8-9,12H,7H2,1-6H3/t8?,9-/m1/s1.
What are the key properties of tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate?
tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-methoxy-4-(methylamino)pentanoate is sourced from PubChem (CID 59021635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).