3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C14H19FN2O5 — CID 122078377

IUPAC3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)Oc1ccc(NC(=O)NCC(C)(O)C(=O)O)c(F)c1
InChIInChI=1S/C14H19FN2O5/c1-8(2)22-9-4-5-11(10(15)6-9)17-13(20)16-7-14(3,21)12(18)19/h4-6,8,21H,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKSNIOVNNNGLOOB-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.57
Rot. Bonds6

About 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122078377) has the molecular formula C14H19FN2O5 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122078377
Molecular FormulaC14H19FN2O5
Molecular Weight314.31 g/mol
Exact Mass314.13
IUPAC Name3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)Oc1ccc(NC(=O)NCC(C)(O)C(=O)O)c(F)c1
InChIInChI=1S/C14H19FN2O5/c1-8(2)22-9-4-5-11(10(15)6-9)17-13(20)16-7-14(3,21)12(18)19/h4-6,8,21H,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKSNIOVNNNGLOOB-UHFFFAOYSA-N
XLogP1.57
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95300771
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094832
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122078377) is 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(C)Oc1ccc(NC(=O)NCC(C)(O)C(=O)O)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is KSNIOVNNNGLOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O5/c1-8(2)22-9-4-5-11(10(15)6-9)17-13(20)16-7-14(3,21)12(18)19/h4-6,8,21H,7H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 314.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122078377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).