methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate

C15H20N2O4 — CID 46569462

IUPACmethyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
SMILESCCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1
InChIInChI=1S/C15H20N2O4/c1-4-10(2)14(19)17-12-7-5-11(6-8-12)15(20)16-9-13(18)21-3/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyBMALMOSNSWYCQU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.57
Rot. Bonds6

About methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate

methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate (PubChem CID 46569462) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
PubChem CID46569462
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
SMILESCCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1
InChIInChI=1S/C15H20N2O4/c1-4-10(2)14(19)17-12-7-5-11(6-8-12)15(20)16-9-13(18)21-3/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyBMALMOSNSWYCQU-UHFFFAOYSA-N
XLogP1.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
CID 119692969
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
CID 55396943
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709193

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate (CID 46569462) is methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate is CCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate?
The InChIKey is BMALMOSNSWYCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-10(2)14(19)17-12-7-5-11(6-8-12)15(20)16-9-13(18)21-3/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate?
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate is sourced from PubChem (CID 46569462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).