2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid

C8H14FNO4 — CID 126583619

IUPAC2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid
SMILESCCC(C)(F)CN(CC(=O)O)C(=O)O
InChIInChI=1S/C8H14FNO4/c1-3-8(2,9)5-10(7(13)14)4-6(11)12/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyIXMZXYKVJWJLBD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.19
Rot. Bonds5

About 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid

2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid (PubChem CID 126583619) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid
PubChem CID126583619
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid
SMILESCCC(C)(F)CN(CC(=O)O)C(=O)O
InChIInChI=1S/C8H14FNO4/c1-3-8(2,9)5-10(7(13)14)4-6(11)12/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyIXMZXYKVJWJLBD-UHFFFAOYSA-N
XLogP1.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid?
The IUPAC name of 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid (CID 126583619) is 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid?
The canonical SMILES for 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid is CCC(C)(F)CN(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid?
The InChIKey is IXMZXYKVJWJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4/c1-3-8(2,9)5-10(7(13)14)4-6(11)12/h3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid?
2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid has a molecular weight of 207.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid is sourced from PubChem (CID 126583619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).