methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate

C16H24N2O3 — CID 79812574

IUPACmethyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
SMILESCCC(N)(CC)C(=O)N(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-16(17,5-2)15(20)18(12-14(19)21-3)11-13-9-7-6-8-10-13/h6-10H,4-5,11-12,17H2,1-3H3
InChIKeyGUSLFHBQRGXSNG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds7

About methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate

methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate (PubChem CID 79812574) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
PubChem CID79812574
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
SMILESCCC(N)(CC)C(=O)N(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-16(17,5-2)15(20)18(12-14(19)21-3)11-13-9-7-6-8-10-13/h6-10H,4-5,11-12,17H2,1-3H3
InChIKeyGUSLFHBQRGXSNG-UHFFFAOYSA-N
XLogP1.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-dibenzyl-2-ethylbutanamide
CID 130161860
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
methyl 2-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
3-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
methyl 2-[benzyl-[2-[2-methylbutan-2-yloxycarbonyl(2-oxopropyl)amino]acetyl]amino]acetate
CID 143150981
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate
CID 81257262

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate (CID 79812574) is methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate is CCC(N)(CC)C(=O)N(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate?
The InChIKey is GUSLFHBQRGXSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(17,5-2)15(20)18(12-14(19)21-3)11-13-9-7-6-8-10-13/h6-10H,4-5,11-12,17H2,1-3H3.
What are the key properties of methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate?
methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate is sourced from PubChem (CID 79812574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).