methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate

C14H20N2O3 — CID 60842005

IUPACmethyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)CNC(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)15-8-13(17)16-12-6-5-10(3)7-11(12)14(18)19-4/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyREAMQAUFRFNHST-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds5

About methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate

methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate (PubChem CID 60842005) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
PubChem CID60842005
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)CNC(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)15-8-13(17)16-12-6-5-10(3)7-11(12)14(18)19-4/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyREAMQAUFRFNHST-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61159065
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate
CID 78929389
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
methyl 2-[[(2R)-2-aminopropanoyl]amino]-5-methylbenzoate
CID 54991021
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
methyl 2-[(2-amino-4-methylpentanoyl)amino]-5-methylbenzoate
CID 43701493
methyl 5-methyl-2-(2-propylpentanoylamino)benzoate
CID 82989755
methyl 2-(2-aminobutanoylamino)-5-methylbenzoate
CID 43701497
methyl 2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-5-methylbenzoate
CID 43623717

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate (CID 60842005) is methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)CNC(C)C.
What is the InChIKey of methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
The InChIKey is REAMQAUFRFNHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)15-8-13(17)16-12-6-5-10(3)7-11(12)14(18)19-4/h5-7,9,15H,8H2,1-4H3,(H,16,17).
What are the key properties of methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate is sourced from PubChem (CID 60842005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).