2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid

C14H18FNO3 — CID 112517412

IUPAC2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(=O)CCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-9(2)16-13(17)8-7-12(14(18)19)10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySAQVWLJAPWMVKH-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid

2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid (PubChem CID 112517412) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
PubChem CID112517412
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(=O)CCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-9(2)16-13(17)8-7-12(14(18)19)10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySAQVWLJAPWMVKH-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79434707
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5-(chloromethyl)-2-(4-fluorophenyl)hex-5-enoic acid
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2-(4-fluorophenyl)nonanoic acid
CID 79434490
4-ethoxy-2-(4-fluorophenyl)butanoic acid
CID 79434800
2-(4-chlorophenyl)-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 82134375
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930
2-(4-fluorophenyl)hex-5-ynoic acid
CID 79434370
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid (CID 112517412) is 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid is CC(C)NC(=O)CCC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid?
The InChIKey is SAQVWLJAPWMVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)16-13(17)8-7-12(14(18)19)10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid?
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 112517412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).