(3S)-3-acetamido-3-phenylpropanoate

C11H12NO3- — CID 6935995

IUPAC(3S)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1
InChIKeyHTWAFOFDKZAKQP-JTQLQIEISA-M
MW206.22 g/mol
LogP0.00
Rot. Bonds4

About (3S)-3-acetamido-3-phenylpropanoate

(3S)-3-acetamido-3-phenylpropanoate (PubChem CID 6935995) has the molecular formula C11H12NO3- and a molecular weight of 206.22 g/mol. Its IUPAC name is (3S)-3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name(3S)-3-acetamido-3-phenylpropanoate
PubChem CID6935995
Molecular FormulaC11H12NO3-
Molecular Weight206.22 g/mol
Exact Mass206.08
IUPAC Name(3S)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1
InChIKeyHTWAFOFDKZAKQP-JTQLQIEISA-M
XLogP0.00
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
CID 6921315
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
(4-nitrophenyl) 3-acetamido-3-phenylpropanoate
CID 14826599
(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-3-phenylpropanoate?
The IUPAC name of (3S)-3-acetamido-3-phenylpropanoate (CID 6935995) is (3S)-3-acetamido-3-phenylpropanoate.
What is the SMILES notation for (3S)-3-acetamido-3-phenylpropanoate?
The canonical SMILES for (3S)-3-acetamido-3-phenylpropanoate is CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-3-phenylpropanoate?
The InChIKey is HTWAFOFDKZAKQP-JTQLQIEISA-M. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1.
What are the key properties of (3S)-3-acetamido-3-phenylpropanoate?
(3S)-3-acetamido-3-phenylpropanoate has a molecular weight of 206.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 6935995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).