2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid

C11H13NO5 — CID 95454152

IUPAC2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
SMILESCOc1ccccc1COC(=O)NCC(=O)O
InChIInChI=1S/C11H13NO5/c1-16-9-5-3-2-4-8(9)7-17-11(15)12-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyOSXSTDIBNKSXPX-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.01
Rot. Bonds5

About 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid

2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid (PubChem CID 95454152) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
PubChem CID95454152
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
SMILESCOc1ccccc1COC(=O)NCC(=O)O
InChIInChI=1S/C11H13NO5/c1-16-9-5-3-2-4-8(9)7-17-11(15)12-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyOSXSTDIBNKSXPX-UHFFFAOYSA-N
XLogP1.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364238
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate
CID 78765613
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
(2-methoxyphenyl)methyl 2-methylpentanoate
CID 78842249
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid (CID 95454152) is 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid is COc1ccccc1COC(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid?
The InChIKey is OSXSTDIBNKSXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-16-9-5-3-2-4-8(9)7-17-11(15)12-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid?
2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid is sourced from PubChem (CID 95454152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).