2-[(3-hydroxycyclobutyl)methylamino]propanoic acid

C8H15NO3 — CID 66005490

IUPAC2-[(3-hydroxycyclobutyl)methylamino]propanoic acid
SMILESCC(NCC1CC(O)C1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(8(11)12)9-4-6-2-7(10)3-6/h5-7,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyWSQYLSNAFMIREB-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.18
Rot. Bonds4

About 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid

2-[(3-hydroxycyclobutyl)methylamino]propanoic acid (PubChem CID 66005490) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methylamino]propanoic acid
PubChem CID66005490
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(3-hydroxycyclobutyl)methylamino]propanoic acid
SMILESCC(NCC1CC(O)C1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(8(11)12)9-4-6-2-7(10)3-6/h5-7,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyWSQYLSNAFMIREB-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid (CID 66005490) is 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid is CC(NCC1CC(O)C1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
The InChIKey is WSQYLSNAFMIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(8(11)12)9-4-6-2-7(10)3-6/h5-7,9-10H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
2-[(3-hydroxycyclobutyl)methylamino]propanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)methylamino]propanoic acid is sourced from PubChem (CID 66005490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).