(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid

C8H17FN2O2 — CID 170124352

IUPAC(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid
SMILESCN(CCCF)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H17FN2O2/c1-11(5-2-4-9)6-3-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyAUSNAWZBVPZPIC-ZETCQYMHSA-N
MW192.23 g/mol
LogP0.08
Rot. Bonds7

About (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid

(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid (PubChem CID 170124352) has the molecular formula C8H17FN2O2 and a molecular weight of 192.23 g/mol. Its IUPAC name is (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid
PubChem CID170124352
Molecular FormulaC8H17FN2O2
Molecular Weight192.23 g/mol
Exact Mass192.13
IUPAC Name(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid
SMILESCN(CCCF)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H17FN2O2/c1-11(5-2-4-9)6-3-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyAUSNAWZBVPZPIC-ZETCQYMHSA-N
XLogP0.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-[3-fluoropropyl(methyl)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

Related Compounds

Carboxynorspermidine
CID 70678631
2-Amino-4-(methylamino)butanoic acid
CID 21295102
(2S)-2-amino-4-(dimethylamino)butanoic acid dihydrochloride
CID 165798433
2-({2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)}amino)acetic acid
CID 87394782
(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923
2-Amino-4-(3-aminopropylamino)butanoic acid
CID 44229223
(2S)-2-amino-4-(4-aminobutylamino)butyric acid
CID 70678731
2-Amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 116991252
4-[[3-(Dimethylamino)-2,2,3,3-tetrafluoropropyl]amino]butanoic acid
CID 130273026
4-[[3-(Dimethylamino)-2,2,3,4,4,4-hexafluorobutyl]amino]butanoic acid
CID 130273027
(2S)-2-amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 142490903
(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
CID 146563110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid (CID 170124352) is (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid is CN(CCCF)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid?
The InChIKey is AUSNAWZBVPZPIC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17FN2O2/c1-11(5-2-4-9)6-3-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid?
(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid has a molecular weight of 192.23 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 170124352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).