ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate

C17H16N4O3 — CID 40525614

IUPACethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
SMILESCCOC(=O)[C@H](NC(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C17H16N4O3/c1-2-24-17(23)15(18-16(22)12-8-4-3-5-9-12)21-14-11-7-6-10-13(14)19-20-21/h3-11,15H,2H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyBXWOHGIFYNSQLJ-OAHLLOKOSA-N
MW324.34 g/mol
LogP1.92
Rot. Bonds5

About ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate

ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate (PubChem CID 40525614) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
PubChem CID40525614
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Nameethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
SMILESCCOC(=O)[C@H](NC(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C17H16N4O3/c1-2-24-17(23)15(18-16(22)12-8-4-3-5-9-12)21-14-11-7-6-10-13(14)19-20-21/h3-11,15H,2H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyBXWOHGIFYNSQLJ-OAHLLOKOSA-N
XLogP1.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
CID 10979388
N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870
1-(benzotriazol-1-yl)propyl benzoate
CID 3780036
N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 10530945
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
2-(benzotriazol-1-yl)-2-(phenoxycarbonylamino)acetic acid
CID 18628958
ethyl 2-(benzotriazol-1-yl)-2-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]acetate
CID 3460643

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate?
The IUPAC name of ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate (CID 40525614) is ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate?
The canonical SMILES for ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate is CCOC(=O)[C@H](NC(=O)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate?
The InChIKey is BXWOHGIFYNSQLJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-2-24-17(23)15(18-16(22)12-8-4-3-5-9-12)21-14-11-7-6-10-13(14)19-20-21/h3-11,15H,2H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate?
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate has a molecular weight of 324.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 40525614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).