tert-butyl 2-acetamido-3-phenylpropanoate

C15H21NO3 — CID 70959830

IUPACtert-butyl 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-11(17)16-13(14(18)19-15(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,16,17)
InChIKeyUNASOMTZFOUZLY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl 2-acetamido-3-phenylpropanoate

tert-butyl 2-acetamido-3-phenylpropanoate (PubChem CID 70959830) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-acetamido-3-phenylpropanoate
PubChem CID70959830
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-11(17)16-13(14(18)19-15(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,16,17)
InChIKeyUNASOMTZFOUZLY-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 101227384
tert-butyl (2R)-2-(hydroxyamino)-3-phenylpropanoate;oxalic acid
CID 46867571
tert-butyl (2R)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11130916
tert-butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 166781222
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
tert-butyl (2S)-3-phenyl-2-(2-phenylethylcarbamoylamino)propanoate
CID 71507126
tert-butyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoate
CID 11349880
tert-butyl (2S)-3-phenyl-2-(propan-2-ylamino)propanoate;sulfane
CID 159183112
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
tert-butyl 3-phenyl-2-(sulfamoylamino)propanoate
CID 115756313
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
propyl 2-acetamido-3-phenylpropanoate
CID 3917469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetamido-3-phenylpropanoate?
The IUPAC name of tert-butyl 2-acetamido-3-phenylpropanoate (CID 70959830) is tert-butyl 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for tert-butyl 2-acetamido-3-phenylpropanoate?
The canonical SMILES for tert-butyl 2-acetamido-3-phenylpropanoate is CC(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-acetamido-3-phenylpropanoate?
The InChIKey is UNASOMTZFOUZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)16-13(14(18)19-15(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 2-acetamido-3-phenylpropanoate?
tert-butyl 2-acetamido-3-phenylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 70959830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).