methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate

C11H14N2O3 — CID 16773515

IUPACmethyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-16-11(15)7-13-10(14)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyTXJFBCZFLBKMQU-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.10
Rot. Bonds4

About methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate

methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate (PubChem CID 16773515) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
PubChem CID16773515
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-16-11(15)7-13-10(14)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyTXJFBCZFLBKMQU-UHFFFAOYSA-N
XLogP0.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate (CID 16773515) is methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccccc1N.
What is the InChIKey of methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate?
The InChIKey is TXJFBCZFLBKMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11(15)7-13-10(14)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate?
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate has a molecular weight of 222.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate is sourced from PubChem (CID 16773515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).