2,4-diamino-2-methylbutanoic acid;hydrochloride

C5H13ClN2O2 — CID 90672895

IUPAC2,4-diamino-2-methylbutanoic acid;hydrochloride
SMILESCC(N)(CCN)C(=O)O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-5(7,2-3-6)4(8)9;/h2-3,6-7H2,1H3,(H,8,9);1H
InChIKeyFMNGXVBRZDFQKX-UHFFFAOYSA-N
MW168.62 g/mol
LogP-0.44
Rot. Bonds3

About 2,4-diamino-2-methylbutanoic acid;hydrochloride

2,4-diamino-2-methylbutanoic acid;hydrochloride (PubChem CID 90672895) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is 2,4-diamino-2-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2,4-diamino-2-methylbutanoic acid;hydrochloride
PubChem CID90672895
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Name2,4-diamino-2-methylbutanoic acid;hydrochloride
SMILESCC(N)(CCN)C(=O)O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-5(7,2-3-6)4(8)9;/h2-3,6-7H2,1H3,(H,8,9);1H
InChIKeyFMNGXVBRZDFQKX-UHFFFAOYSA-N
XLogP-0.44
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-2-methylbutanoic acid;hydrochloride?
The IUPAC name of 2,4-diamino-2-methylbutanoic acid;hydrochloride (CID 90672895) is 2,4-diamino-2-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 2,4-diamino-2-methylbutanoic acid;hydrochloride?
The canonical SMILES for 2,4-diamino-2-methylbutanoic acid;hydrochloride is CC(N)(CCN)C(=O)O.Cl.
What is the InChIKey of 2,4-diamino-2-methylbutanoic acid;hydrochloride?
The InChIKey is FMNGXVBRZDFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-5(7,2-3-6)4(8)9;/h2-3,6-7H2,1H3,(H,8,9);1H.
What are the key properties of 2,4-diamino-2-methylbutanoic acid;hydrochloride?
2,4-diamino-2-methylbutanoic acid;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-2-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 90672895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).