4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid

C14H19FN2O4 — CID 114840334

IUPAC4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1cc(NC(=O)NC(C)(C)CCC(=O)O)ccc1F
InChIInChI=1S/C14H19FN2O4/c1-14(2,7-6-12(18)19)17-13(20)16-9-4-5-10(15)11(8-9)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyWNWORXYIIBILIR-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.60
Rot. Bonds6

About 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid

4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 114840334) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID114840334
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1cc(NC(=O)NC(C)(C)CCC(=O)O)ccc1F
InChIInChI=1S/C14H19FN2O4/c1-14(2,7-6-12(18)19)17-13(20)16-9-4-5-10(15)11(8-9)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyWNWORXYIIBILIR-UHFFFAOYSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
4-[(2,5-difluoro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122086650
4-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122079676
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122088492
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122075180
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
4-[(4-fluoro-3-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068854
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
CID 74235615
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid (CID 114840334) is 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid is COc1cc(NC(=O)NC(C)(C)CCC(=O)O)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is WNWORXYIIBILIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-14(2,7-6-12(18)19)17-13(20)16-9-4-5-10(15)11(8-9)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 298.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 114840334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).