4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid

C18H24FN3O5 — CID 122090760

IUPAC4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C18H24FN3O5/c1-18(2,6-5-15(23)24)21-17(26)20-12-3-4-13(14(19)11-12)16(25)22-7-9-27-10-8-22/h3-4,11H,5-10H2,1-2H3,(H,23,24)(H2,20,21,26)
InChIKeyPJBGZIILQAYWQU-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.06
Rot. Bonds6

About 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122090760) has the molecular formula C18H24FN3O5 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122090760
Molecular FormulaC18H24FN3O5
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C18H24FN3O5/c1-18(2,6-5-15(23)24)21-17(26)20-12-3-4-13(14(19)11-12)16(25)22-7-9-27-10-8-22/h3-4,11H,5-10H2,1-2H3,(H,23,24)(H2,20,21,26)
InChIKeyPJBGZIILQAYWQU-UHFFFAOYSA-N
XLogP2.06
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-difluoro-2-morpholin-4-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122093371
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122074814
4-methyl-4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122075475
4-methyl-4-(morpholine-4-carbonylamino)pentanoic acid
CID 62050012
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122089353
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122091763
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092164

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122090760) is 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is PJBGZIILQAYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O5/c1-18(2,6-5-15(23)24)21-17(26)20-12-3-4-13(14(19)11-12)16(25)22-7-9-27-10-8-22/h3-4,11H,5-10H2,1-2H3,(H,23,24)(H2,20,21,26).
What are the key properties of 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 381.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122090760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).