3-(2-aminopropanoylamino)-4-fluorobutanoic acid

C7H13FN2O3 — CID 20508327

IUPAC3-(2-aminopropanoylamino)-4-fluorobutanoic acid
SMILESCC(N)C(=O)NC(CF)CC(=O)O
InChIInChI=1S/C7H13FN2O3/c1-4(9)7(13)10-5(3-8)2-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyDYUYJFMPGJDKNX-UHFFFAOYSA-N
MW192.19 g/mol
LogP-0.74
Rot. Bonds5

About 3-(2-aminopropanoylamino)-4-fluorobutanoic acid

3-(2-aminopropanoylamino)-4-fluorobutanoic acid (PubChem CID 20508327) has the molecular formula C7H13FN2O3 and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)-4-fluorobutanoic acid.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)-4-fluorobutanoic acid
PubChem CID20508327
Molecular FormulaC7H13FN2O3
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name3-(2-aminopropanoylamino)-4-fluorobutanoic acid
SMILESCC(N)C(=O)NC(CF)CC(=O)O
InChIInChI=1S/C7H13FN2O3/c1-4(9)7(13)10-5(3-8)2-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyDYUYJFMPGJDKNX-UHFFFAOYSA-N
XLogP-0.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-acetamido-2-aminopropanoic 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
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
3-(propanoylamino)-L-alanine
CID 10725648
3-Amino-2-acetamidopropanoic acid
CID 12760441

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoylamino)-4-fluorobutanoic acid?
The IUPAC name of 3-(2-aminopropanoylamino)-4-fluorobutanoic acid (CID 20508327) is 3-(2-aminopropanoylamino)-4-fluorobutanoic acid.
What is the SMILES notation for 3-(2-aminopropanoylamino)-4-fluorobutanoic acid?
The canonical SMILES for 3-(2-aminopropanoylamino)-4-fluorobutanoic acid is CC(N)C(=O)NC(CF)CC(=O)O.
What is the InChIKey of 3-(2-aminopropanoylamino)-4-fluorobutanoic acid?
The InChIKey is DYUYJFMPGJDKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O3/c1-4(9)7(13)10-5(3-8)2-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-(2-aminopropanoylamino)-4-fluorobutanoic acid?
3-(2-aminopropanoylamino)-4-fluorobutanoic acid has a molecular weight of 192.19 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)-4-fluorobutanoic acid is sourced from PubChem (CID 20508327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).