2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid

C14H18FNO3 — CID 119198714

IUPAC2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid
SMILESCC(C(=O)N(CC(=O)O)C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-9(2)16(8-13(17)18)14(19)10(3)11-5-4-6-12(15)7-11/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyKDYDOKJSDJVYLM-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.25
Rot. Bonds5

About 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid

2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid (PubChem CID 119198714) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid
PubChem CID119198714
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid
SMILESCC(C(=O)N(CC(=O)O)C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-9(2)16(8-13(17)18)14(19)10(3)11-5-4-6-12(15)7-11/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyKDYDOKJSDJVYLM-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65057333
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830344
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-propan-2-ylamino]acetic acid
CID 120580755
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61202292
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
2-[[cyano-(3-fluorophenyl)methyl]-methylamino]acetic acid
CID 84757516
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid (CID 119198714) is 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid is CC(C(=O)N(CC(=O)O)C(C)C)c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid?
The InChIKey is KDYDOKJSDJVYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)16(8-13(17)18)14(19)10(3)11-5-4-6-12(15)7-11/h4-7,9-10H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid?
2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).