3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid

C6H14N2O3 — CID 87840763

IUPAC3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid
SMILESCC(CO)(C(=O)O)C(N)CN
InChIInChI=1S/C6H14N2O3/c1-6(3-9,5(10)11)4(8)2-7/h4,9H,2-3,7-8H2,1H3,(H,10,11)
InChIKeyHMTYDLQTRWMHGM-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.64
Rot. Bonds4

About 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid

3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid (PubChem CID 87840763) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid
PubChem CID87840763
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid
SMILESCC(CO)(C(=O)O)C(N)CN
InChIInChI=1S/C6H14N2O3/c1-6(3-9,5(10)11)4(8)2-7/h4,9H,2-3,7-8H2,1H3,(H,10,11)
InChIKeyHMTYDLQTRWMHGM-UHFFFAOYSA-N
XLogP-1.64
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid?
The IUPAC name of 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid (CID 87840763) is 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid.
What is the SMILES notation for 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid?
The canonical SMILES for 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid is CC(CO)(C(=O)O)C(N)CN.
What is the InChIKey of 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid?
The InChIKey is HMTYDLQTRWMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-6(3-9,5(10)11)4(8)2-7/h4,9H,2-3,7-8H2,1H3,(H,10,11).
What are the key properties of 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid?
3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid has a molecular weight of 162.19 g/mol, XLogP of -1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid is sourced from PubChem (CID 87840763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).