4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid

C10H20FNO2 — CID 81113047

IUPAC4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCF)CCCC(=O)O
InChIInChI=1S/C10H20FNO2/c1-9(2)12(8-4-6-11)7-3-5-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyMUFGVPKWZRYSKQ-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.92
Rot. Bonds8

About 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid

4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid (PubChem CID 81113047) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid
PubChem CID81113047
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCF)CCCC(=O)O
InChIInChI=1S/C10H20FNO2/c1-9(2)12(8-4-6-11)7-3-5-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyMUFGVPKWZRYSKQ-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-fluoropropyl(propan-2-yl)amino]butanoic 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 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid (CID 81113047) is 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCF)CCCC(=O)O.
What is the InChIKey of 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid?
The InChIKey is MUFGVPKWZRYSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-9(2)12(8-4-6-11)7-3-5-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid?
4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid has a molecular weight of 205.27 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoropropyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 81113047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).