2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid

C7H12FNO3 — CID 170383645

IUPAC2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CF
InChIInChI=1S/C7H12FNO3/c1-5(2)9(4-7(11)12)6(10)3-8/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyDRIGQFDMXMCKLA-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.28
Rot. Bonds4

About 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid

2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid (PubChem CID 170383645) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid
PubChem CID170383645
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CF
InChIInChI=1S/C7H12FNO3/c1-5(2)9(4-7(11)12)6(10)3-8/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyDRIGQFDMXMCKLA-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid (CID 170383645) is 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CF.
What is the InChIKey of 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid?
The InChIKey is DRIGQFDMXMCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-5(2)9(4-7(11)12)6(10)3-8/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid?
2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid has a molecular weight of 177.17 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoroacetyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 170383645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).