5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid

C15H21FN2O3 — CID 82846759

IUPAC5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10(5-3-8-14(19)20)17-15(21)18-11(2)12-6-4-7-13(16)9-12/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyOTPOBNPFLLUSGT-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.83
Rot. Bonds7

About 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid

5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid (PubChem CID 82846759) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
PubChem CID82846759
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10(5-3-8-14(19)20)17-15(21)18-11(2)12-6-4-7-13(16)9-12/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyOTPOBNPFLLUSGT-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890884
5-[1-(3-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686420
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid (CID 82846759) is 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)NC(C)c1cccc(F)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is OTPOBNPFLLUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(5-3-8-14(19)20)17-15(21)18-11(2)12-6-4-7-13(16)9-12/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 296.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82846759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).