3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid

C11H20N2O3 — CID 65464697

IUPAC3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)C1(N)CC1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)13(7-4-8(14)15)9(16)11(12)5-6-11/h4-7,12H2,1-3H3,(H,14,15)
InChIKeyZAGXWSLLOUBOKJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds4

About 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid

3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid (PubChem CID 65464697) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
PubChem CID65464697
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)C1(N)CC1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)13(7-4-8(14)15)9(16)11(12)5-6-11/h4-7,12H2,1-3H3,(H,14,15)
InChIKeyZAGXWSLLOUBOKJ-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid?
The IUPAC name of 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid (CID 65464697) is 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid.
What is the SMILES notation for 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid?
The canonical SMILES for 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)C1(N)CC1.
What is the InChIKey of 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid?
The InChIKey is ZAGXWSLLOUBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)13(7-4-8(14)15)9(16)11(12)5-6-11/h4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid?
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid is sourced from PubChem (CID 65464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).