2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid

C12H14N4O3 — CID 119205740

IUPAC2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C12H14N4O3/c1-3-16(7-11(17)18)12(19)8-4-5-10-9(6-8)13-14-15(10)2/h4-6H,3,7H2,1-2H3,(H,17,18)
InChIKeyUKLWONVEKLRCNA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.51
Rot. Bonds4

About 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid

2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid (PubChem CID 119205740) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid
PubChem CID119205740
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C12H14N4O3/c1-3-16(7-11(17)18)12(19)8-4-5-10-9(6-8)13-14-15(10)2/h4-6H,3,7H2,1-2H3,(H,17,18)
InChIKeyUKLWONVEKLRCNA-UHFFFAOYSA-N
XLogP0.51
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
CID 53121059
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296374
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248
N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide
CID 71851140
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296368
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
CID 155945933
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid (CID 119205740) is 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid?
The InChIKey is UKLWONVEKLRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-16(7-11(17)18)12(19)8-4-5-10-9(6-8)13-14-15(10)2/h4-6H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid?
2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid has a molecular weight of 262.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119205740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).