2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid

C12H24N2O3 — CID 79256791

IUPAC2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CNC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-7-12(5,10(16)17)14-9(15)8-13-11(2,3)4/h13H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyGZCHPASFHIDXCL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds6

About 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid

2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid (PubChem CID 79256791) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
PubChem CID79256791
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CNC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-7-12(5,10(16)17)14-9(15)8-13-11(2,3)4/h13H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyGZCHPASFHIDXCL-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic 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-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
CID 61162004
2-formamido-2-methylpentanoic acid
CID 61145661
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid (CID 79256791) is 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)CNC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid?
The InChIKey is GZCHPASFHIDXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-7-12(5,10(16)17)14-9(15)8-13-11(2,3)4/h13H,6-8H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid?
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 79256791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).