tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate

C11H23NO3 — CID 110012338

IUPACtert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
SMILESCC(CO)NC(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(12-9(2)7-13)6-10(14)15-11(3,4)5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyYRLCEVGQDJAUTG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds5

About tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate

tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate (PubChem CID 110012338) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
PubChem CID110012338
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
SMILESCC(CO)NC(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(12-9(2)7-13)6-10(14)15-11(3,4)5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyYRLCEVGQDJAUTG-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
CID 87341796
tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]amino]butanoate
CID 115977937
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl (3R)-3-(hydroxymethyl)-5-methylhexanoate
CID 11127679
tert-butyl 3-[(2-hydroxy-3,3-dimethylbutyl)amino]butanoate
CID 110012218
tert-butyl (3R)-3-(butanoylamino)butanoate
CID 149206745
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
tert-butyl (3R)-3-methylpentanoate
CID 158245009
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
tert-butyl 3-formamido-4-hydroxybutanoate
CID 163370404
tert-butyl 3,3-diaminopropanoate
CID 57031897

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate?
The IUPAC name of tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate (CID 110012338) is tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate.
What is the SMILES notation for tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate?
The canonical SMILES for tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate is CC(CO)NC(C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate?
The InChIKey is YRLCEVGQDJAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(12-9(2)7-13)6-10(14)15-11(3,4)5/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate?
tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate has a molecular weight of 217.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate is sourced from PubChem (CID 110012338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).