(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid

C12H15NO3 — CID 25323198

IUPAC(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3/c1-8-3-5-10(6-4-8)11(7-12(15)16)13-9(2)14/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyCZHBKBNENRJYDU-LLVKDONJSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds4

About (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid

(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid (PubChem CID 25323198) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
PubChem CID25323198
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3/c1-8-3-5-10(6-4-8)11(7-12(15)16)13-9(2)14/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyCZHBKBNENRJYDU-LLVKDONJSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
(3R)-3-(4-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 7084661
benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378852
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119188374
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
(3S)-3-acetamido-3-(3-chloro-4-methylphenyl)propanoic acid
CID 106817778
2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid?
The IUPAC name of (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid (CID 25323198) is (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid is CC(=O)N[C@H](CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid?
The InChIKey is CZHBKBNENRJYDU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-3-5-10(6-4-8)11(7-12(15)16)13-9(2)14/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)/t11-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid?
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 25323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).