3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid

C15H22FNO2 — CID 114834684

IUPAC3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(C)Cc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11(2)17(9-8-15(18)19)12(3)10-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3,(H,18,19)
InChIKeyHVGZPKXDFIWMBB-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.94
Rot. Bonds7

About 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid

3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid (PubChem CID 114834684) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid
PubChem CID114834684
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(C)Cc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11(2)17(9-8-15(18)19)12(3)10-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3,(H,18,19)
InChIKeyHVGZPKXDFIWMBB-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-carboxyethyl-[(2-fluorophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327787
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783
3-[(2-fluorophenyl)methyl-(3-methylbut-2-enoyl)amino]propanoic acid
CID 82326205
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[[4-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoyl]amino]propanoic acid
CID 119223044
3-[(2-fluorophenyl)sulfonyl-propan-2-ylamino]propanoic acid
CID 60829140
2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 155171061

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid (CID 114834684) is 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(C)Cc1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid?
The InChIKey is HVGZPKXDFIWMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(2)17(9-8-15(18)19)12(3)10-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid?
3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid has a molecular weight of 267.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 114834684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).