2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid

C12H15NO4 — CID 82044282

IUPAC2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)C(C)=O
InChIInChI=1S/C12H15NO4/c1-9(14)13(8-12(15)16)7-10-5-3-4-6-11(10)17-2/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyXNFKDQJZMXMRAT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.13
Rot. Bonds5

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

2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 82044282) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
PubChem CID82044282
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)C(C)=O
InChIInChI=1S/C12H15NO4/c1-9(14)13(8-12(15)16)7-10-5-3-4-6-11(10)17-2/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyXNFKDQJZMXMRAT-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
2-[(2-methoxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79274704

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid (CID 82044282) is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid is COc1ccccc1CN(CC(=O)O)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is XNFKDQJZMXMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(14)13(8-12(15)16)7-10-5-3-4-6-11(10)17-2/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 82044282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).