2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid

C8H15NO3 — CID 106940343

IUPAC2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid
SMILESCC(OC1CC(CN)C1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(8(10)11)12-7-2-6(3-7)4-9/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyUWDSUYRERPTOKP-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.21
Rot. Bonds4

About 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid

2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid (PubChem CID 106940343) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid
PubChem CID106940343
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid
SMILESCC(OC1CC(CN)C1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(8(10)11)12-7-2-6(3-7)4-9/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyUWDSUYRERPTOKP-UHFFFAOYSA-N
XLogP0.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)oxypropanoic acid
CID 18666259
2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
CID 106940224
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
2-(1-methylpiperidin-3-yl)oxypropanoic acid
CID 23008476
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
2-[[2-(aminomethyl)cyclopentyl]methoxy]propanoic acid
CID 106940301
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide
CID 165469689
2-(cyclopentylmethoxy)propanoic acid
CID 66322360

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid?
The IUPAC name of 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid (CID 106940343) is 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid.
What is the SMILES notation for 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid?
The canonical SMILES for 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid is CC(OC1CC(CN)C1)C(=O)O.
What is the InChIKey of 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid?
The InChIKey is UWDSUYRERPTOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(8(10)11)12-7-2-6(3-7)4-9/h5-7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid?
2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid is sourced from PubChem (CID 106940343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).