2-[(2-methoxynaphthalen-1-yl)amino]acetic acid

C13H13NO3 — CID 66808022

IUPAC2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
SMILESCOc1ccc2ccccc2c1NCC(=O)O
InChIInChI=1S/C13H13NO3/c1-17-11-7-6-9-4-2-3-5-10(9)13(11)14-8-12(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyDMRUBSQHNUFTQE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid

2-[(2-methoxynaphthalen-1-yl)amino]acetic acid (PubChem CID 66808022) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
PubChem CID66808022
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
SMILESCOc1ccc2ccccc2c1NCC(=O)O
InChIInChI=1S/C13H13NO3/c1-17-11-7-6-9-4-2-3-5-10(9)13(11)14-8-12(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyDMRUBSQHNUFTQE-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate
CID 175556090
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid
CID 122572557
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
3-[1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]naphthalen-2-yl]-3-oxopropanoic acid
CID 22184872
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid (CID 66808022) is 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid is COc1ccc2ccccc2c1NCC(=O)O.
What is the InChIKey of 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid?
The InChIKey is DMRUBSQHNUFTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-11-7-6-9-4-2-3-5-10(9)13(11)14-8-12(15)16/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid?
2-[(2-methoxynaphthalen-1-yl)amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxynaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 66808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).