2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate

C12H15NO4 — CID 70795612

IUPAC2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCCO)c1
InChIInChI=1S/C12H15NO4/c1-9-3-2-4-10(7-9)12(16)13-8-11(15)17-6-5-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16)
InChIKeyYMEZSMFKBKPWBO-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.26
Rot. Bonds5

About 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate

2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 70795612) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
PubChem CID70795612
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCCO)c1
InChIInChI=1S/C12H15NO4/c1-9-3-2-4-10(7-9)12(16)13-8-11(15)17-6-5-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16)
InChIKeyYMEZSMFKBKPWBO-UHFFFAOYSA-N
XLogP0.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 9363783
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
ethynyl 2-[(3-methylbenzoyl)amino]acetate;molecular hydrogen
CID 161158540
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364103
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364143
3-methyl-N-phenacylbenzamide
CID 3417494
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate (CID 70795612) is 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is YMEZSMFKBKPWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9-3-2-4-10(7-9)12(16)13-8-11(15)17-6-5-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16).
What are the key properties of 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate?
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 237.25 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 70795612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).