4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid

C14H18FNO3 — CID 99849251

IUPAC4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
SMILESC[C@H](CC(=O)NCCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-10(11-4-6-12(15)7-5-11)9-13(17)16-8-2-3-14(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyYQYODDSTEKLGJQ-SNVBAGLBSA-N
MW267.30 g/mol
LogP2.30
Rot. Bonds7

About 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid

4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid (PubChem CID 99849251) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
PubChem CID99849251
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
SMILESC[C@H](CC(=O)NCCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-10(11-4-6-12(15)7-5-11)9-13(17)16-8-2-3-14(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyYQYODDSTEKLGJQ-SNVBAGLBSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[3-(4-fluorophenyl)butanoylamino]heptanoic acid
CID 119227583
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
CID 55923475
ethyl 3-[[(3S)-3-(4-fluorophenyl)butanoyl]amino]propanoate
CID 94800030
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 94676198
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
CID 55952744
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]butanoic acid
CID 122008717

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid?
The IUPAC name of 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid (CID 99849251) is 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid is C[C@H](CC(=O)NCCCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid?
The InChIKey is YQYODDSTEKLGJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(11-4-6-12(15)7-5-11)9-13(17)16-8-2-3-14(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid?
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid is sourced from PubChem (CID 99849251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).