methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate

C14H18N4O4 — CID 7706166

IUPACmethyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
SMILESCC[C@@H](C)NC(=O)COn1nnc2ccc(C(=O)OC)cc21
InChIInChI=1S/C14H18N4O4/c1-4-9(2)15-13(19)8-22-18-12-7-10(14(20)21-3)5-6-11(12)16-17-18/h5-7,9H,4,8H2,1-3H3,(H,15,19)/t9-/m1/s1
InChIKeyBVPFFNUURDVJMX-SECBINFHSA-N
MW306.32 g/mol
LogP0.56
Rot. Bonds6

About methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate

methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate (PubChem CID 7706166) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
PubChem CID7706166
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Namemethyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
SMILESCC[C@@H](C)NC(=O)COn1nnc2ccc(C(=O)OC)cc21
InChIInChI=1S/C14H18N4O4/c1-4-9(2)15-13(19)8-22-18-12-7-10(14(20)21-3)5-6-11(12)16-17-18/h5-7,9H,4,8H2,1-3H3,(H,15,19)/t9-/m1/s1
InChIKeyBVPFFNUURDVJMX-SECBINFHSA-N
XLogP0.56
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706238
methyl 3-[2-(cyclopropylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706021
methyl 3-[2-(2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706094
methyl 3-[(4-methoxycarbonylphenyl)methoxy]benzotriazole-5-carboxylate
CID 7705938
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705969
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714319
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2596743

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate?
The IUPAC name of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate (CID 7706166) is methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate.
What is the SMILES notation for methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate?
The canonical SMILES for methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate is CC[C@@H](C)NC(=O)COn1nnc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate?
The InChIKey is BVPFFNUURDVJMX-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-4-9(2)15-13(19)8-22-18-12-7-10(14(20)21-3)5-6-11(12)16-17-18/h5-7,9H,4,8H2,1-3H3,(H,15,19)/t9-/m1/s1.
What are the key properties of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate?
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate is sourced from PubChem (CID 7706166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).