2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid

C15H21NO4 — CID 62032808

IUPAC2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(CC(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-11(2)9-16(10-15(18)19)14(17)8-12-4-6-13(20-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeySRHAPIKQUNXQIQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds7

About 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 62032808) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID62032808
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(CC(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-11(2)9-16(10-15(18)19)14(17)8-12-4-6-13(20-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeySRHAPIKQUNXQIQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)acetamide
CID 42702376
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
2-[(4-methoxyphenyl)methyl-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 174174199
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-methylpropyl)acetamide
CID 4283219
2-[[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]acetyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 70347362
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide
CID 107493334
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
3-[[2-(3,4-dimethoxyphenyl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190485
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 62032808) is 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid is COc1ccc(CC(=O)N(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is SRHAPIKQUNXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)9-16(10-15(18)19)14(17)8-12-4-6-13(20-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62032808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).