[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate

C8H17NO4 — CID 118105038

IUPAC[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(N)(CO)CO
InChIInChI=1S/C8H17NO4/c1-6(2)7(12)13-5-8(9,3-10)4-11/h6,10-11H,3-5,9H2,1-2H3
InChIKeyDLEHADBBBCGNTL-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.13
Rot. Bonds5

About [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate

[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate (PubChem CID 118105038) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
PubChem CID118105038
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(N)(CO)CO
InChIInChI=1S/C8H17NO4/c1-6(2)7(12)13-5-8(9,3-10)4-11/h6,10-11H,3-5,9H2,1-2H3
InChIKeyDLEHADBBBCGNTL-UHFFFAOYSA-N
XLogP-1.13
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.13
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-(hydroxymethyl)propyl] 2-methylpropanoate?
The IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate (CID 118105038) is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate.
What is the SMILES notation for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate?
The canonical SMILES for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate is CC(C)C(=O)OCC(N)(CO)CO.
What is the InChIKey of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate?
The InChIKey is DLEHADBBBCGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(2)7(12)13-5-8(9,3-10)4-11/h6,10-11H,3-5,9H2,1-2H3.
What are the key properties of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate?
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate has a molecular weight of 191.23 g/mol, XLogP of -1.13, 5 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-(hydroxymethyl)propyl] 2-methylpropanoate is sourced from PubChem (CID 118105038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).