(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate

C13H16NO4- — CID 6921315

IUPAC(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
SMILESCCOc1ccc([C@@H](CC(=O)[O-])NC(C)=O)cc1
InChIInChI=1S/C13H17NO4/c1-3-18-11-6-4-10(5-7-11)12(8-13(16)17)14-9(2)15/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t12-/m1/s1
InChIKeyOODFNSFRXFOACA-GFCCVEGCSA-M
MW250.27 g/mol
LogP0.40
Rot. Bonds6

About (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate

(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate (PubChem CID 6921315) has the molecular formula C13H16NO4- and a molecular weight of 250.27 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
PubChem CID6921315
Molecular FormulaC13H16NO4-
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
SMILESCCOc1ccc([C@@H](CC(=O)[O-])NC(C)=O)cc1
InChIInChI=1S/C13H17NO4/c1-3-18-11-6-4-10(5-7-11)12(8-13(16)17)14-9(2)15/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t12-/m1/s1
InChIKeyOODFNSFRXFOACA-GFCCVEGCSA-M
XLogP0.40
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
(3S)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7022531
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
(3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate
CID 7291562
(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 6925782
(3R)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate
CID 7291560
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878876
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875
N-[(1S)-3-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9343396
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate?
The IUPAC name of (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate (CID 6921315) is (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate.
What is the SMILES notation for (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate?
The canonical SMILES for (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate is CCOc1ccc([C@@H](CC(=O)[O-])NC(C)=O)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate?
The InChIKey is OODFNSFRXFOACA-GFCCVEGCSA-M. The full InChI is InChI=1S/C13H17NO4/c1-3-18-11-6-4-10(5-7-11)12(8-13(16)17)14-9(2)15/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t12-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate?
(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate has a molecular weight of 250.27 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate is sourced from PubChem (CID 6921315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).