tert-butyl 3-(1-phenylpropylamino)propanoate

C16H25NO2 — CID 103785968

IUPACtert-butyl 3-(1-phenylpropylamino)propanoate
SMILESCCC(NCCC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-14(13-9-7-6-8-10-13)17-12-11-15(18)19-16(2,3)4/h6-10,14,17H,5,11-12H2,1-4H3
InChIKeyZAJLOQCYDWPAEB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl 3-(1-phenylpropylamino)propanoate

tert-butyl 3-(1-phenylpropylamino)propanoate (PubChem CID 103785968) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl 3-(1-phenylpropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(1-phenylpropylamino)propanoate
PubChem CID103785968
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl 3-(1-phenylpropylamino)propanoate
SMILESCCC(NCCC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-14(13-9-7-6-8-10-13)17-12-11-15(18)19-16(2,3)4/h6-10,14,17H,5,11-12H2,1-4H3
InChIKeyZAJLOQCYDWPAEB-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
(2S)-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-3-phenylpropanoic acid
CID 10708863
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
5-(1-phenylpropylamino)pentanamide
CID 103529788
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
tert-butyl 3-(benzylamino)propanoate
CID 10776134
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 103257452

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-phenylpropylamino)propanoate?
The IUPAC name of tert-butyl 3-(1-phenylpropylamino)propanoate (CID 103785968) is tert-butyl 3-(1-phenylpropylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(1-phenylpropylamino)propanoate?
The canonical SMILES for tert-butyl 3-(1-phenylpropylamino)propanoate is CCC(NCCC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl 3-(1-phenylpropylamino)propanoate?
The InChIKey is ZAJLOQCYDWPAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14(13-9-7-6-8-10-13)17-12-11-15(18)19-16(2,3)4/h6-10,14,17H,5,11-12H2,1-4H3.
What are the key properties of tert-butyl 3-(1-phenylpropylamino)propanoate?
tert-butyl 3-(1-phenylpropylamino)propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-phenylpropylamino)propanoate is sourced from PubChem (CID 103785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).