(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid

C19H33N3O4 — CID 70598826

IUPAC(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid
SMILESCC(C)(N)COC(=O)CN.CCc1cc(C)cc(C)c1N[C@@H](C)C(=O)O
InChIInChI=1S/C13H19NO2.C6H14N2O2/c1-5-11-7-8(2)6-9(3)12(11)14-10(4)13(15)16;1-6(2,8)4-10-5(9)3-7/h6-7,10,14H,5H2,1-4H3,(H,15,16);3-4,7-8H2,1-2H3/t10-;/m0./s1
InChIKeyXYHYWRIUQTYLNM-PPHPATTJSA-N
MW367.49 g/mol
LogP1.98
Rot. Bonds7

About (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid

(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid (PubChem CID 70598826) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid
PubChem CID70598826
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid
SMILESCC(C)(N)COC(=O)CN.CCc1cc(C)cc(C)c1N[C@@H](C)C(=O)O
InChIInChI=1S/C13H19NO2.C6H14N2O2/c1-5-11-7-8(2)6-9(3)12(11)14-10(4)13(15)16;1-6(2,8)4-10-5(9)3-7/h6-7,10,14H,5H2,1-4H3,(H,15,16);3-4,7-8H2,1-2H3/t10-;/m0./s1
InChIKeyXYHYWRIUQTYLNM-PPHPATTJSA-N
XLogP1.98
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid?
The IUPAC name of (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid (CID 70598826) is (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid.
What is the SMILES notation for (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid?
The canonical SMILES for (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid is CC(C)(N)COC(=O)CN.CCc1cc(C)cc(C)c1N[C@@H](C)C(=O)O.
What is the InChIKey of (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid?
The InChIKey is XYHYWRIUQTYLNM-PPHPATTJSA-N. The full InChI is InChI=1S/C13H19NO2.C6H14N2O2/c1-5-11-7-8(2)6-9(3)12(11)14-10(4)13(15)16;1-6(2,8)4-10-5(9)3-7/h6-7,10,14H,5H2,1-4H3,(H,15,16);3-4,7-8H2,1-2H3/t10-;/m0./s1.
What are the key properties of (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid?
(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid has a molecular weight of 367.49 g/mol, XLogP of 1.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid is sourced from PubChem (CID 70598826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).