3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid

C12H20N2O3 — CID 79854101

IUPAC3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid
SMILESNC1(CC(=O)N(CCC(=O)O)C2CC2)CCC1
InChIInChI=1S/C12H20N2O3/c13-12(5-1-6-12)8-10(15)14(9-2-3-9)7-4-11(16)17/h9H,1-8,13H2,(H,16,17)
InChIKeyUBTZWPUOKIQFKA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.72
Rot. Bonds6

About 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid

3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 79854101) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid
PubChem CID79854101
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid
SMILESNC1(CC(=O)N(CCC(=O)O)C2CC2)CCC1
InChIInChI=1S/C12H20N2O3/c13-12(5-1-6-12)8-10(15)14(9-2-3-9)7-4-11(16)17/h9H,1-8,13H2,(H,16,17)
InChIKeyUBTZWPUOKIQFKA-UHFFFAOYSA-N
XLogP0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid
CID 79854894
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
2-(1-aminocyclobutyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79854204
2-(1-aminocyclohexyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102861595
3-[cyclopropyl-[2-(thian-4-yl)acetyl]amino]propanoic acid
CID 83145481
3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
CID 61160293
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
3-[cyclopropyl-(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81452289

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid (CID 79854101) is 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid is NC1(CC(=O)N(CCC(=O)O)C2CC2)CCC1.
What is the InChIKey of 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is UBTZWPUOKIQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(5-1-6-12)8-10(15)14(9-2-3-9)7-4-11(16)17/h9H,1-8,13H2,(H,16,17).
What are the key properties of 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid?
3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 79854101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).