2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid

C13H17FN2O3 — CID 81365356

IUPAC2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
SMILESCC(=O)NC(CN[C@H](C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-8(10-4-3-5-11(14)6-10)15-7-12(13(18)19)16-9(2)17/h3-6,8,12,15H,7H2,1-2H3,(H,16,17)(H,18,19)/t8-,12?/m1/s1
InChIKeyHGIAGJUQGYEGCP-SZSXPDSJSA-N
MW268.29 g/mol
LogP1.07
Rot. Bonds6

About 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid

2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid (PubChem CID 81365356) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
PubChem CID81365356
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
SMILESCC(=O)NC(CN[C@H](C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-8(10-4-3-5-11(14)6-10)15-7-12(13(18)19)16-9(2)17/h3-6,8,12,15H,7H2,1-2H3,(H,16,17)(H,18,19)/t8-,12?/m1/s1
InChIKeyHGIAGJUQGYEGCP-SZSXPDSJSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propanoic acid
CID 81372439
2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
CID 64583466
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
CID 81351937
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
2-acetamido-3-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoic acid
CID 81359901
2-acetamido-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81410723
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
methyl 2-bromo-3-[1-(3-fluorophenyl)ethylamino]propanoate
CID 103245889

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid (CID 81365356) is 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid is CC(=O)NC(CN[C@H](C)c1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid?
The InChIKey is HGIAGJUQGYEGCP-SZSXPDSJSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(10-4-3-5-11(14)6-10)15-7-12(13(18)19)16-9(2)17/h3-6,8,12,15H,7H2,1-2H3,(H,16,17)(H,18,19)/t8-,12?/m1/s1.
What are the key properties of 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid?
2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 81365356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).