5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid

C14H17FN2O4 — CID 28931995

IUPAC5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cccc(F)c1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(9-10-4-2-5-11(15)8-10)14(21)16-12(18)6-3-7-13(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,20)(H,16,18,21)
InChIKeyGJKTULMBMRRBIR-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.75
Rot. Bonds6

About 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid

5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid (PubChem CID 28931995) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
PubChem CID28931995
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cccc(F)c1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(9-10-4-2-5-11(15)8-10)14(21)16-12(18)6-3-7-13(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,20)(H,16,18,21)
InChIKeyGJKTULMBMRRBIR-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281
2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
CID 43328957
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]butanoic acid
CID 43329847
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
6-[(3-fluorophenyl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447390
5-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61420483
(2R)-2-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010506
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid (CID 28931995) is 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid is CN(Cc1cccc(F)c1)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is GJKTULMBMRRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-17(9-10-4-2-5-11(15)8-10)14(21)16-12(18)6-3-7-13(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 296.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 28931995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).