2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid

C11H22N2O3 — CID 65265565

IUPAC2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
SMILESCC(NC(C)(C)C(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7(8(14)13-10(2,3)4)12-11(5,6)9(15)16/h7,12H,1-6H3,(H,13,14)(H,15,16)
InChIKeyMTNZSWSFPOPGPI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.74
Rot. Bonds4

About 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid

2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid (PubChem CID 65265565) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
PubChem CID65265565
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
SMILESCC(NC(C)(C)C(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7(8(14)13-10(2,3)4)12-11(5,6)9(15)16/h7,12H,1-6H3,(H,13,14)(H,15,16)
InChIKeyMTNZSWSFPOPGPI-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-methylbutan-2-ylamino)propanamide
CID 43087431
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-(2-cyclopropylpropan-2-ylamino)propanamide
CID 104577778
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
N-tert-butyl-2-(2,2-dimethylhydrazinyl)propanamide
CID 83013632
3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 113406989
N-tert-butyl-2-(ethylsulfonylamino)propanamide
CID 47400721
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-tert-butyl-2-fluoropropanamide
CID 167699160
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid (CID 65265565) is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid is CC(NC(C)(C)C(=O)O)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid?
The InChIKey is MTNZSWSFPOPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(8(14)13-10(2,3)4)12-11(5,6)9(15)16/h7,12H,1-6H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid?
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65265565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).