3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid

C16H21NO3 — CID 81362904

IUPAC3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(C)c(CC(=O)NC(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H21NO3/c1-10-3-4-11(2)13(7-10)8-15(18)17-14(9-16(19)20)12-5-6-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGARKSFSOIFXKQT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.22
Rot. Bonds6

About 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid

3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid (PubChem CID 81362904) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
PubChem CID81362904
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(C)c(CC(=O)NC(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H21NO3/c1-10-3-4-11(2)13(7-10)8-15(18)17-14(9-16(19)20)12-5-6-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGARKSFSOIFXKQT-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid (CID 81362904) is 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid is Cc1ccc(C)c(CC(=O)NC(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid?
The InChIKey is GARKSFSOIFXKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-3-4-11(2)13(7-10)8-15(18)17-14(9-16(19)20)12-5-6-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid?
3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 81362904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).