2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride

C6H14ClFN2O2 — CID 14231035

IUPAC2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
SMILESCl.NCCCC(N)(CF)C(=O)O
InChIInChI=1S/C6H13FN2O2.ClH/c7-4-6(9,5(10)11)2-1-3-8;/h1-4,8-9H2,(H,10,11);1H
InChIKeyBVENOTDWCWKKQI-UHFFFAOYSA-N
MW200.64 g/mol
LogP-0.10
Rot. Bonds5

About 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride

2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride (PubChem CID 14231035) has the molecular formula C6H14ClFN2O2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
PubChem CID14231035
Molecular FormulaC6H14ClFN2O2
Molecular Weight200.64 g/mol
Exact Mass200.07
IUPAC Name2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
SMILESCl.NCCCC(N)(CF)C(=O)O
InChIInChI=1S/C6H13FN2O2.ClH/c7-4-6(9,5(10)11)2-1-3-8;/h1-4,8-9H2,(H,10,11);1H
InChIKeyBVENOTDWCWKKQI-UHFFFAOYSA-N
XLogP-0.10
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride?
The IUPAC name of 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride (CID 14231035) is 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride.
What is the SMILES notation for 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride?
The canonical SMILES for 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride is Cl.NCCCC(N)(CF)C(=O)O.
What is the InChIKey of 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride?
The InChIKey is BVENOTDWCWKKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2.ClH/c7-4-6(9,5(10)11)2-1-3-8;/h1-4,8-9H2,(H,10,11);1H.
What are the key properties of 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride?
2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride has a molecular weight of 200.64 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride is sourced from PubChem (CID 14231035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).