3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid

C8H16N2O3 — CID 82734246

IUPAC3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
SMILESCN(C1CCOC1)C(CN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-10(6-2-3-13-5-6)7(4-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyKGLPNVABHJAGQO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.88
Rot. Bonds4

About 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid

3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid (PubChem CID 82734246) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
PubChem CID82734246
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
SMILESCN(C1CCOC1)C(CN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-10(6-2-3-13-5-6)7(4-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyKGLPNVABHJAGQO-UHFFFAOYSA-N
XLogP-0.88
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid?
The IUPAC name of 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid (CID 82734246) is 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid is CN(C1CCOC1)C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid?
The InChIKey is KGLPNVABHJAGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-10(6-2-3-13-5-6)7(4-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid?
3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 82734246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).