tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate

C17H27NO2 — CID 115590839

IUPACtert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
SMILESCC(C)N(CCC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(2)18(13-15-9-7-6-8-10-15)12-11-16(19)20-17(3,4)5/h6-10,14H,11-13H2,1-5H3
InChIKeyDGENSVYLMZSVNY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds6

About tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate

tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate (PubChem CID 115590839) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
PubChem CID115590839
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
SMILESCC(C)N(CCC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(2)18(13-15-9-7-6-8-10-15)12-11-16(19)20-17(3,4)5/h6-10,14H,11-13H2,1-5H3
InChIKeyDGENSVYLMZSVNY-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5S)-5-(dibenzylamino)-4-oxohexanoate
CID 10927048
tert-butyl (4S)-5-(dibenzylamino)-4-hydroxyhexanoate
CID 22868419
tert-butyl (4S,5S)-5-(dibenzylamino)-4-hydroxyhexanoate
CID 10959952
tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
tert-butyl (3R,4R)-4-(dibenzylamino)-3-hydroxy-5-methylhexanoate
CID 10596976
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
1-O-benzyl 4-O-tert-butyl 2-(dibenzylamino)butanedioate
CID 22956966
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115
tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
tert-butyl 3-[benzyl(2-phenylethyl)amino]heptanoate
CID 174971253

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate (CID 115590839) is tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate is CC(C)N(CCC(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate?
The InChIKey is DGENSVYLMZSVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)18(13-15-9-7-6-8-10-15)12-11-16(19)20-17(3,4)5/h6-10,14H,11-13H2,1-5H3.
What are the key properties of tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate?
tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate has a molecular weight of 277.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 115590839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).