3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid

C15H21NO4 — CID 64670700

IUPAC3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1ccc(C)cc1CC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-10-5-6-12(20-4)11(7-10)8-13(17)16-15(2,3)9-14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMSQIOGSMAIGMOJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.92
Rot. Bonds6

About 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid

3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 64670700) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
PubChem CID64670700
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1ccc(C)cc1CC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-10-5-6-12(20-4)11(7-10)8-13(17)16-15(2,3)9-14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMSQIOGSMAIGMOJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64671122
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-4-methylphenyl)acetamide
CID 110832913
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
CID 120688752
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
3-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672701

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid (CID 64670700) is 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid is COc1ccc(C)cc1CC(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is MSQIOGSMAIGMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-5-6-12(20-4)11(7-10)8-13(17)16-15(2,3)9-14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid?
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64670700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).