[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate

C15H21NO3 — CID 90680450

IUPAC[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
SMILESCC[C@H](C)OC(=O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C15H21NO3/c1-4-11(2)19-15(18)14(16-12(3)17)10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyZDVMPCFPOZDRQL-FZMZJTMJSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds6

About [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate

[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate (PubChem CID 90680450) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
PubChem CID90680450
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
SMILESCC[C@H](C)OC(=O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C15H21NO3/c1-4-11(2)19-15(18)14(16-12(3)17)10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyZDVMPCFPOZDRQL-FZMZJTMJSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

propyl 2-acetamido-3-phenylpropanoate
CID 3917469
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
[(1S)-1-cyclohexylethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680452
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
methyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 11140872
N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
CID 91577350

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate?
The IUPAC name of [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate (CID 90680450) is [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate.
What is the SMILES notation for [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate?
The canonical SMILES for [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate is CC[C@H](C)OC(=O)[C@H](Cc1ccccc1)NC(C)=O.
What is the InChIKey of [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate?
The InChIKey is ZDVMPCFPOZDRQL-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11(2)19-15(18)14(16-12(3)17)10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)/t11-,14-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate?
[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 90680450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).