2,2-diamino-4-fluoro-4-methylpentanoic acid

C6H13FN2O2 — CID 91251901

IUPAC2,2-diamino-4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)CC(N)(N)C(=O)O
InChIInChI=1S/C6H13FN2O2/c1-5(2,7)3-6(8,9)4(10)11/h3,8-9H2,1-2H3,(H,10,11)
InChIKeyWODLBSJNMGTVGN-UHFFFAOYSA-N
MW164.18 g/mol
LogP-0.18
Rot. Bonds3

About 2,2-diamino-4-fluoro-4-methylpentanoic acid

2,2-diamino-4-fluoro-4-methylpentanoic acid (PubChem CID 91251901) has the molecular formula C6H13FN2O2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2,2-diamino-4-fluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name2,2-diamino-4-fluoro-4-methylpentanoic acid
PubChem CID91251901
Molecular FormulaC6H13FN2O2
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name2,2-diamino-4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)CC(N)(N)C(=O)O
InChIInChI=1S/C6H13FN2O2/c1-5(2,7)3-6(8,9)4(10)11/h3,8-9H2,1-2H3,(H,10,11)
InChIKeyWODLBSJNMGTVGN-UHFFFAOYSA-N
XLogP-0.18
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-diamino-4-fluoro-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
2-amino-2-sulfanylpropanoic acid
CID 22715625
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
2-fluoro-2-methylbutanoic acid
CID 11366977
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-2-fluoro-3-hydroxypropanoic acid
CID 156746245
2,2-diamino-4-hydroxybutanoic acid
CID 21257162
(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
CID 87211555
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-4-fluoro-4-methylpentanoic acid?
The IUPAC name of 2,2-diamino-4-fluoro-4-methylpentanoic acid (CID 91251901) is 2,2-diamino-4-fluoro-4-methylpentanoic acid.
What is the SMILES notation for 2,2-diamino-4-fluoro-4-methylpentanoic acid?
The canonical SMILES for 2,2-diamino-4-fluoro-4-methylpentanoic acid is CC(C)(F)CC(N)(N)C(=O)O.
What is the InChIKey of 2,2-diamino-4-fluoro-4-methylpentanoic acid?
The InChIKey is WODLBSJNMGTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2/c1-5(2,7)3-6(8,9)4(10)11/h3,8-9H2,1-2H3,(H,10,11).
What are the key properties of 2,2-diamino-4-fluoro-4-methylpentanoic acid?
2,2-diamino-4-fluoro-4-methylpentanoic acid has a molecular weight of 164.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-4-fluoro-4-methylpentanoic acid is sourced from PubChem (CID 91251901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).