5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid

C14H19FN2O3 — CID 82846795

IUPAC5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-10(3-2-4-13(18)19)17-14(20)16-9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRNUOVNXTOHAEFU-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.27
Rot. Bonds7

About 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid

5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid (PubChem CID 82846795) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
PubChem CID82846795
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-10(3-2-4-13(18)19)17-14(20)16-9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRNUOVNXTOHAEFU-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
5-[(3-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 82848910
6-[(4-fluorophenyl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447329
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]hexanoic acid
CID 82848106
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82847209
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid (CID 82846795) is 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is RNUOVNXTOHAEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(3-2-4-13(18)19)17-14(20)16-9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid?
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82846795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).