2-(1-fluorobutylamino)propanoic acid

C7H14FNO2 — CID 87722043

IUPAC2-(1-fluorobutylamino)propanoic acid
SMILESCCCC(F)NC(C)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-3-4-6(8)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyUICOUUHJKRHKPL-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.14
Rot. Bonds5

About 2-(1-fluorobutylamino)propanoic acid

2-(1-fluorobutylamino)propanoic acid (PubChem CID 87722043) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-(1-fluorobutylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-fluorobutylamino)propanoic acid
PubChem CID87722043
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-(1-fluorobutylamino)propanoic acid
SMILESCCCC(F)NC(C)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-3-4-6(8)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyUICOUUHJKRHKPL-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-fluorobutylamino)propanoic 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-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
CID 56997535
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
2-(nonan-2-ylamino)propanoic acid
CID 61499682
(2S)-2-[[(2S)-1-ethylperoxypentan-2-yl]amino]propanoic acid
CID 89197415
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
azane;carbonic acid;1,1-difluorobutane;2-methylpropane
CID 174591461
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
2-(1-phenylpentan-2-ylamino)propanoic acid
CID 122035581

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutylamino)propanoic acid?
The IUPAC name of 2-(1-fluorobutylamino)propanoic acid (CID 87722043) is 2-(1-fluorobutylamino)propanoic acid.
What is the SMILES notation for 2-(1-fluorobutylamino)propanoic acid?
The canonical SMILES for 2-(1-fluorobutylamino)propanoic acid is CCCC(F)NC(C)C(=O)O.
What is the InChIKey of 2-(1-fluorobutylamino)propanoic acid?
The InChIKey is UICOUUHJKRHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-3-4-6(8)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-fluorobutylamino)propanoic acid?
2-(1-fluorobutylamino)propanoic acid has a molecular weight of 163.19 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutylamino)propanoic acid is sourced from PubChem (CID 87722043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).