2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid

C11H13FN2O3 — CID 140933508

IUPAC2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
SMILESNCC(=O)NC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c12-8-3-1-2-7(4-8)5-9(11(16)17)14-10(15)6-13/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)
InChIKeyYCYQLUYRERSHDD-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.10
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid

2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid (PubChem CID 140933508) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
PubChem CID140933508
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
SMILESNCC(=O)NC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c12-8-3-1-2-7(4-8)5-9(11(16)17)14-10(15)6-13/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)
InChIKeyYCYQLUYRERSHDD-UHFFFAOYSA-N
XLogP-0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171157
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362376
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362117

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid (CID 140933508) is 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid is NCC(=O)NC(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid?
The InChIKey is YCYQLUYRERSHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-8-3-1-2-7(4-8)5-9(11(16)17)14-10(15)6-13/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid?
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid has a molecular weight of 240.23 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 140933508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).