3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C10H12FN3O4 — CID 114254271

IUPAC3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1cncc(F)c1)C(=O)O
InChIInChI=1S/C10H12FN3O4/c1-10(18,8(15)16)5-13-9(17)14-7-2-6(11)3-12-4-7/h2-4,18H,5H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyNGWRLLBOGCHNOR-UHFFFAOYSA-N
MW257.22 g/mol
LogP0.18
Rot. Bonds4

About 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 114254271) has the molecular formula C10H12FN3O4 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID114254271
Molecular FormulaC10H12FN3O4
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1cncc(F)c1)C(=O)O
InChIInChI=1S/C10H12FN3O4/c1-10(18,8(15)16)5-13-9(17)14-7-2-6(11)3-12-4-7/h2-4,18H,5H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyNGWRLLBOGCHNOR-UHFFFAOYSA-N
XLogP0.18
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 114254271) is 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)Nc1cncc(F)c1)C(=O)O.
What is the InChIKey of 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is NGWRLLBOGCHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4/c1-10(18,8(15)16)5-13-9(17)14-7-2-6(11)3-12-4-7/h2-4,18H,5H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 257.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 114254271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).