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

C12H22N2O3 — CID 79256381

IUPAC2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
SMILESCC(C)(C)NCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)13-7-9(15)14-12(4,10(16)17)8-5-6-8/h8,13H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyUOIHOPGOAUPVFO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds5

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

2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid (PubChem CID 79256381) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
PubChem CID79256381
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
SMILESCC(C)(C)NCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)13-7-9(15)14-12(4,10(16)17)8-5-6-8/h8,13H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyUOIHOPGOAUPVFO-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732
2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 113352873
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 16786947
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61162529
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid (CID 79256381) is 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid is CC(C)(C)NCC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid?
The InChIKey is UOIHOPGOAUPVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)13-7-9(15)14-12(4,10(16)17)8-5-6-8/h8,13H,5-7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid?
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 5 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-cyclopropylpropanoic acid is sourced from PubChem (CID 79256381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).