bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate

C18H37N3O4 — CID 154979439

IUPACbis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
SMILESCC(C)(N)CC(C)(C)OC(=O)CC(N)C(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C18H37N3O4/c1-15(2,20)10-17(5,6)24-13(22)9-12(19)14(23)25-18(7,8)11-16(3,4)21/h12H,9-11,19-21H2,1-8H3
InChIKeyIHDJNOKAANYMJR-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.60
Rot. Bonds9

About bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate

bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate (PubChem CID 154979439) has the molecular formula C18H37N3O4 and a molecular weight of 359.51 g/mol. Its IUPAC name is bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate.

Molecular Properties

Compound Namebis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
PubChem CID154979439
Molecular FormulaC18H37N3O4
Molecular Weight359.51 g/mol
Exact Mass359.28
IUPAC Namebis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
SMILESCC(C)(N)CC(C)(C)OC(=O)CC(N)C(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C18H37N3O4/c1-15(2,20)10-17(5,6)24-13(22)9-12(19)14(23)25-18(7,8)11-16(3,4)21/h12H,9-11,19-21H2,1-8H3
InChIKeyIHDJNOKAANYMJR-UHFFFAOYSA-N
XLogP1.60
TPSA130.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate with MolForge

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

Launch Full Analysis

Related Compounds

bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
CID 154979440
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3S)-3,4-diamino-4-oxobutanoate
CID 7019655
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
CID 165041539
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate
CID 163508677
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
ditert-butyl (3S)-3-amino-2-oxopentanedioate
CID 175802480
tert-butyl 3,3-diaminopropanoate
CID 57031897
2-[(3S)-3-amino-4-oxo-4-(1,2,3-tricarboxypropan-2-yloxy)butanoyl]oxypropane-1,2,3-tricarboxylic acid
CID 174924101
(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
CID 139681743

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate?
The IUPAC name of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate (CID 154979439) is bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate.
What is the SMILES notation for bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate?
The canonical SMILES for bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate is CC(C)(N)CC(C)(C)OC(=O)CC(N)C(=O)OC(C)(C)CC(C)(C)N.
What is the InChIKey of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate?
The InChIKey is IHDJNOKAANYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4/c1-15(2,20)10-17(5,6)24-13(22)9-12(19)14(23)25-18(7,8)11-16(3,4)21/h12H,9-11,19-21H2,1-8H3.
What are the key properties of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate?
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate has a molecular weight of 359.51 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate is sourced from PubChem (CID 154979439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).