3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid

C11H14N2O4 — CID 69398776

IUPAC3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
SMILESCC(CNC(N)=O)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(9(14)15,7-13-10(12)16)17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H3,12,13,16)
InChIKeyZPROSGYHSVNNLS-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.58
Rot. Bonds5

About 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid

3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid (PubChem CID 69398776) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
PubChem CID69398776
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
SMILESCC(CNC(N)=O)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(9(14)15,7-13-10(12)16)17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H3,12,13,16)
InChIKeyZPROSGYHSVNNLS-UHFFFAOYSA-N
XLogP0.58
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(methylamino)-4-oxo-2-phenoxybutanoic acid
CID 68880264
2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
CID 69123434
2-(4-carbamoylphenoxy)-2-methylbutanoic acid
CID 114990324
2,4-dimethyl-2-phenoxyheptanoic acid
CID 174503954
2-amino-N-ethyl-2-phenoxypropanamide
CID 174406190
2-(ethylamino)-2-phenoxypropanamide
CID 174406191
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958
[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
CID 6158288
2,2-diphenoxybutanoic acid
CID 159827255

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid?
The IUPAC name of 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid (CID 69398776) is 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid.
What is the SMILES notation for 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid?
The canonical SMILES for 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid is CC(CNC(N)=O)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid?
The InChIKey is ZPROSGYHSVNNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(9(14)15,7-13-10(12)16)17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H3,12,13,16).
What are the key properties of 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid?
3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid is sourced from PubChem (CID 69398776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).