2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid

C16H33N3O2 — CID 114539433

IUPAC2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
SMILESCC(C)NC(C)(CC(C)N1CC(C)N(C)C(C)C1)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-11(2)17-16(6,15(20)21)8-12(3)19-9-13(4)18(7)14(5)10-19/h11-14,17H,8-10H2,1-7H3,(H,20,21)
InChIKeyGWXQDLSBZRLHGX-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.63
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid

2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid (PubChem CID 114539433) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
PubChem CID114539433
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
SMILESCC(C)NC(C)(CC(C)N1CC(C)N(C)C(C)C1)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-11(2)17-16(6,15(20)21)8-12(3)19-9-13(4)18(7)14(5)10-19/h11-14,17H,8-10H2,1-7H3,(H,20,21)
InChIKeyGWXQDLSBZRLHGX-UHFFFAOYSA-N
XLogP1.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid 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

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114596369
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539267
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107394689
6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexanoic acid
CID 104968568
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104960236
4-(4-chloro-3-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708146
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid (CID 114539433) is 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid is CC(C)NC(C)(CC(C)N1CC(C)N(C)C(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
The InChIKey is GWXQDLSBZRLHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-11(2)17-16(6,15(20)21)8-12(3)19-9-13(4)18(7)14(5)10-19/h11-14,17H,8-10H2,1-7H3,(H,20,21).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid has a molecular weight of 299.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 114539433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).