5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid

C14H18FNO3 — CID 81351309

IUPAC5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-9(8-14(18)19)7-13(17)16-10(2)11-3-5-12(15)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t9?,10-/m0/s1
InChIKeyFKBDBPXJVWIUIZ-AXDSSHIGSA-N
MW267.30 g/mol
LogP2.50
Rot. Bonds6

About 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid

5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 81351309) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID81351309
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-9(8-14(18)19)7-13(17)16-10(2)11-3-5-12(15)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t9?,10-/m0/s1
InChIKeyFKBDBPXJVWIUIZ-AXDSSHIGSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
5-[1-(3,4-dichlorophenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62965218
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid (CID 81351309) is 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is FKBDBPXJVWIUIZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(8-14(18)19)7-13(17)16-10(2)11-3-5-12(15)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t9?,10-/m0/s1.
What are the key properties of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 81351309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).