methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate

C15H22N2O3 — CID 78929389

IUPACmethyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10-6-7-12(11(8-10)14(19)20-5)17-13(18)9-16-15(2,3)4/h6-8,16H,9H2,1-5H3,(H,17,18)
InChIKeyYIFQZKPKTBBUIC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate

methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate (PubChem CID 78929389) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate
PubChem CID78929389
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10-6-7-12(11(8-10)14(19)20-5)17-13(18)9-16-15(2,3)4/h6-8,16H,9H2,1-5H3,(H,17,18)
InChIKeyYIFQZKPKTBBUIC-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60842005
4-(2-methoxycarbonyl-4-methylanilino)-4-oxobutanoic acid
CID 54867962
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-methylbenzoate
CID 60847664
6-(2-methoxycarbonyl-4-methylanilino)-6-oxohexanoic acid
CID 60942037
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
methyl 2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-5-methylbenzoate
CID 43623717
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
methyl 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-5-methylbenzoate
CID 43623766
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
methyl 2-(2-fluoroprop-2-enoylamino)-5-methylbenzoate
CID 167908353
methyl 2-[[(2R)-2-aminopropanoyl]amino]-5-methylbenzoate
CID 54991021
methyl 5-methyl-2-(prop-2-enylamino)benzoate
CID 45089729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate?
The IUPAC name of methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate (CID 78929389) is methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(=O)CNC(C)(C)C.
What is the InChIKey of methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate?
The InChIKey is YIFQZKPKTBBUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-6-7-12(11(8-10)14(19)20-5)17-13(18)9-16-15(2,3)4/h6-8,16H,9H2,1-5H3,(H,17,18).
What are the key properties of methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate?
methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate has a molecular weight of 278.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate is sourced from PubChem (CID 78929389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).