3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid

C6H11FN2O3 — CID 19905130

IUPAC3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid
SMILESCC(NC(=O)CN)C(F)C(=O)O
InChIInChI=1S/C6H11FN2O3/c1-3(5(7)6(11)12)9-4(10)2-8/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyBSZSIGOQIJCBSB-UHFFFAOYSA-N
MW178.16 g/mol
LogP-1.13
Rot. Bonds4

About 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid

3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid (PubChem CID 19905130) has the molecular formula C6H11FN2O3 and a molecular weight of 178.16 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid
PubChem CID19905130
Molecular FormulaC6H11FN2O3
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Name3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid
SMILESCC(NC(=O)CN)C(F)C(=O)O
InChIInChI=1S/C6H11FN2O3/c1-3(5(7)6(11)12)9-4(10)2-8/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyBSZSIGOQIJCBSB-UHFFFAOYSA-N
XLogP-1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-acetamidopropanoic acid
CID 12760440
2-Glycylaminobutyric acid
CID 86878
2-Amino-3-acetamidopropanoic acid
CID 12760439
H-Ala-Beta-Ala-OH
CID 14602335
Glycyl-beta-alanine
CID 97048
3-(2-Aminopropanoylamino)propanoic acid
CID 4670733
3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949364
(2R)-3-acetamido-2-aminopropanoic acid
CID 146074264
3-((2-Acetamidoacetyl)amino)propanoic acid
CID 24703269
H-Ala-Abu-OH
CID 7019035
(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 46225594
(2R)-2-amino-3-(2-methylpropanoylamino)propanoic acid
CID 178314048

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid?
The IUPAC name of 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid (CID 19905130) is 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid is CC(NC(=O)CN)C(F)C(=O)O.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid?
The InChIKey is BSZSIGOQIJCBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O3/c1-3(5(7)6(11)12)9-4(10)2-8/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid?
3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid has a molecular weight of 178.16 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-2-fluorobutanoic acid is sourced from PubChem (CID 19905130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).