3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid

C17H25NO5 — CID 120688752

IUPAC3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C17H25NO5/c1-5-17(6-2,11-16(20)21)18-15(19)10-12-9-13(22-3)7-8-14(12)23-4/h7-9H,5-6,10-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyPYSZIQPFGCDTBA-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.40
Rot. Bonds9

About 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid

3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid (PubChem CID 120688752) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
PubChem CID120688752
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C17H25NO5/c1-5-17(6-2,11-16(20)21)18-15(19)10-12-9-13(22-3)7-8-14(12)23-4/h7-9H,5-6,10-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyPYSZIQPFGCDTBA-UHFFFAOYSA-N
XLogP2.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 107845955
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid?
The IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid (CID 120688752) is 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid.
What is the SMILES notation for 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid?
The canonical SMILES for 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid is CCC(CC)(CC(=O)O)NC(=O)Cc1cc(OC)ccc1OC.
What is the InChIKey of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid?
The InChIKey is PYSZIQPFGCDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-5-17(6-2,11-16(20)21)18-15(19)10-12-9-13(22-3)7-8-14(12)23-4/h7-9H,5-6,10-11H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid?
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid is sourced from PubChem (CID 120688752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).