5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid

C14H19FN2O3 — CID 82844997

IUPAC5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
SMILESCc1ccc(F)cc1NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C14H19FN2O3/c1-9-6-7-11(15)8-12(9)17-14(20)16-10(2)4-3-5-13(18)19/h6-8,10H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRLLVDMGNQZSHCE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.90
Rot. Bonds6

About 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid

5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid (PubChem CID 82844997) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
PubChem CID82844997
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
SMILESCc1ccc(F)cc1NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C14H19FN2O3/c1-9-6-7-11(15)8-12(9)17-14(20)16-10(2)4-3-5-13(18)19/h6-8,10H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRLLVDMGNQZSHCE-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromo-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 82845882
5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931858
1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111472994
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
5-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 82848077
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716082
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
2-[(4-fluoro-2-methylphenyl)carbamoylamino]pentanedioic acid
CID 61191085

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid (CID 82844997) is 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid is Cc1ccc(F)cc1NC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid?
The InChIKey is RLLVDMGNQZSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-6-7-11(15)8-12(9)17-14(20)16-10(2)4-3-5-13(18)19/h6-8,10H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid?
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 82844997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).