2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid

C15H19F2NO3 — CID 119955011

IUPAC2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO3/c1-3-10(2)18(9-15(20)21)14(19)7-4-11-8-12(16)5-6-13(11)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyGSHNDWRXHOVBJZ-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.61
Rot. Bonds7

About 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid

2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid (PubChem CID 119955011) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid
PubChem CID119955011
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO3/c1-3-10(2)18(9-15(20)21)14(19)7-4-11-8-12(16)5-6-13(11)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyGSHNDWRXHOVBJZ-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
2-[butan-2-yl-[3-(2,3-difluorophenyl)propanoyl]amino]acetic acid
CID 119955243
2-[3-(2-bromophenyl)propanoyl-butan-2-ylamino]acetic acid
CID 119954973
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
N-(1-aminopropan-2-yl)-3-(2,5-difluorophenyl)-N-methylpropanamide;hydrochloride
CID 119584126
2-[[2-(2,5-difluorophenyl)acetyl]-ethylamino]acetic acid
CID 119206164
3-[[2-(2,5-difluorophenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207310
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
2-[3-(3-bromophenyl)propanoyl-butan-2-ylamino]acetic acid
CID 60830103
2-[butan-2-yl-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]amino]acetic acid
CID 119954928
2-[butan-2-yl-[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 62553124
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid (CID 119955011) is 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCc1cc(F)ccc1F.
What is the InChIKey of 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid?
The InChIKey is GSHNDWRXHOVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-3-10(2)18(9-15(20)21)14(19)7-4-11-8-12(16)5-6-13(11)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid?
2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid has a molecular weight of 299.32 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[3-(2,5-difluorophenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119955011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).