2-[(3-methoxyphenyl)methylamino]acetic acid

C10H13NO3 — CID 13236084

IUPAC2-[(3-methoxyphenyl)methylamino]acetic acid
SMILESCOc1cccc(CNCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-14-9-4-2-3-8(5-9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyOGPDDYUQRFSYEJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.87
Rot. Bonds5

About 2-[(3-methoxyphenyl)methylamino]acetic acid

2-[(3-methoxyphenyl)methylamino]acetic acid (PubChem CID 13236084) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylamino]acetic acid
PubChem CID13236084
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(3-methoxyphenyl)methylamino]acetic acid
SMILESCOc1cccc(CNCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-14-9-4-2-3-8(5-9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyOGPDDYUQRFSYEJ-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
CID 1459332
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methylamino]acetic acid (CID 13236084) is 2-[(3-methoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methylamino]acetic acid is COc1cccc(CNCC(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylamino]acetic acid?
The InChIKey is OGPDDYUQRFSYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-9-4-2-3-8(5-9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[(3-methoxyphenyl)methylamino]acetic acid?
2-[(3-methoxyphenyl)methylamino]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 13236084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).