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

C8H16N2O3 — CID 66007247

IUPAC2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
SMILESNC(CNCC1CC(O)C1)C(=O)O
InChIInChI=1S/C8H16N2O3/c9-7(8(12)13)4-10-3-5-1-6(11)2-5/h5-7,10-11H,1-4,9H2,(H,12,13)
InChIKeyDGQWPDSYNCSNKE-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.24
Rot. Bonds5

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

2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid (PubChem CID 66007247) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
PubChem CID66007247
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
SMILESNC(CNCC1CC(O)C1)C(=O)O
InChIInChI=1S/C8H16N2O3/c9-7(8(12)13)4-10-3-5-1-6(11)2-5/h5-7,10-11H,1-4,9H2,(H,12,13)
InChIKeyDGQWPDSYNCSNKE-UHFFFAOYSA-N
XLogP-1.24
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid (CID 66007247) is 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid is NC(CNCC1CC(O)C1)C(=O)O.
What is the InChIKey of 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
The InChIKey is DGQWPDSYNCSNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-7(8(12)13)4-10-3-5-1-6(11)2-5/h5-7,10-11H,1-4,9H2,(H,12,13).
What are the key properties of 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid?
2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid is sourced from PubChem (CID 66007247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).