2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid

C14H18N2O5 — CID 80549262

IUPAC2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-14(2,12(18)19)9-4-6-10(7-5-9)16-13(20)15-8-11(17)21-3/h4-7H,8H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyBMFDETVHAMIGOV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid

2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid (PubChem CID 80549262) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
PubChem CID80549262
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-14(2,12(18)19)9-4-6-10(7-5-9)16-13(20)15-8-11(17)21-3/h4-7H,8H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyBMFDETVHAMIGOV-UHFFFAOYSA-N
XLogP1.34
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-(prop-2-ynylcarbamoylamino)phenyl]propanoic acid
CID 80555782
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554890
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
2-[4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80548980
2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
CID 10059881
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid (CID 80549262) is 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid is COC(=O)CNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid?
The InChIKey is BMFDETVHAMIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,12(18)19)9-4-6-10(7-5-9)16-13(20)15-8-11(17)21-3/h4-7H,8H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid?
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 80549262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).