(2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate

C6H14N2O3 — CID 91176395

IUPAC(2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate
SMILESCC(N)(CO)COC(=O)CN
InChIInChI=1S/C6H14N2O3/c1-6(8,3-9)4-11-5(10)2-7/h9H,2-4,7-8H2,1H3
InChIKeyLSZAEXAICISLIR-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.80
Rot. Bonds4

About (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate

(2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate (PubChem CID 91176395) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate.

Molecular Properties

Compound Name(2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate
PubChem CID91176395
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate
SMILESCC(N)(CO)COC(=O)CN
InChIInChI=1S/C6H14N2O3/c1-6(8,3-9)4-11-5(10)2-7/h9H,2-4,7-8H2,1H3
InChIKeyLSZAEXAICISLIR-UHFFFAOYSA-N
XLogP-1.80
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate?
The IUPAC name of (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate (CID 91176395) is (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate.
What is the SMILES notation for (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate?
The canonical SMILES for (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate is CC(N)(CO)COC(=O)CN.
What is the InChIKey of (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate?
The InChIKey is LSZAEXAICISLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-6(8,3-9)4-11-5(10)2-7/h9H,2-4,7-8H2,1H3.
What are the key properties of (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate?
(2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate has a molecular weight of 162.19 g/mol, XLogP of -1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-hydroxy-2-methylpropyl) 2-aminoacetate is sourced from PubChem (CID 91176395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).