3-(3-aminocyclobutyl)propanoic acid

C7H13NO2 — CID 136574712

IUPAC3-(3-aminocyclobutyl)propanoic acid
SMILESNC1CC(CCC(=O)O)C1
InChIInChI=1S/C7H13NO2/c8-6-3-5(4-6)1-2-7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKeyPGMDZASUISLECW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds3

About 3-(3-aminocyclobutyl)propanoic acid

3-(3-aminocyclobutyl)propanoic acid (PubChem CID 136574712) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(3-aminocyclobutyl)propanoic acid.

Molecular Properties

Compound Name3-(3-aminocyclobutyl)propanoic acid
PubChem CID136574712
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(3-aminocyclobutyl)propanoic acid
SMILESNC1CC(CCC(=O)O)C1
InChIInChI=1S/C7H13NO2/c8-6-3-5(4-6)1-2-7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKeyPGMDZASUISLECW-UHFFFAOYSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid
CID 83908252
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid
CID 154872999
3-[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656122
3-[(1R,3R)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656123
3-(3-amino-2,2-dimethylcyclobutyl)propanoic acid
CID 73094410
3-cyclohepta-3,5-dien-1-ylpropanoic acid
CID 70614890
3-(thian-4-yl)propanoic acid
CID 82411342
3-[3,5-ditert-butyl-4-(hydroxymethyl)cyclohexyl]propanoic acid
CID 146207382
3-(4,4-dimethylcyclohexyl)propanoic acid
CID 161463484
3-(2-bromocyclopropyl)propanoic acid
CID 150783249

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclobutyl)propanoic acid?
The IUPAC name of 3-(3-aminocyclobutyl)propanoic acid (CID 136574712) is 3-(3-aminocyclobutyl)propanoic acid.
What is the SMILES notation for 3-(3-aminocyclobutyl)propanoic acid?
The canonical SMILES for 3-(3-aminocyclobutyl)propanoic acid is NC1CC(CCC(=O)O)C1.
What is the InChIKey of 3-(3-aminocyclobutyl)propanoic acid?
The InChIKey is PGMDZASUISLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-3-5(4-6)1-2-7(9)10/h5-6H,1-4,8H2,(H,9,10).
What are the key properties of 3-(3-aminocyclobutyl)propanoic acid?
3-(3-aminocyclobutyl)propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclobutyl)propanoic acid is sourced from PubChem (CID 136574712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).