2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid

C13H18N2O4 — CID 104553186

IUPAC2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
SMILESCC(CO)N(C)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(8-16)15(2)13(19)14-11-6-4-3-5-10(11)7-12(17)18/h3-6,9,16H,7-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeySCCJCHNTXHZIOD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.16
Rot. Bonds5

About 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid

2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 104553186) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID104553186
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
SMILESCC(CO)N(C)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(8-16)15(2)13(19)14-11-6-4-3-5-10(11)7-12(17)18/h3-6,9,16H,7-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeySCCJCHNTXHZIOD-UHFFFAOYSA-N
XLogP1.16
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
3-[2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]propanoic acid
CID 107274078
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697990
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 62536518
3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 84597316
1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea
CID 110010652
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
CID 97341252
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid (CID 104553186) is 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid is CC(CO)N(C)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is SCCJCHNTXHZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(8-16)15(2)13(19)14-11-6-4-3-5-10(11)7-12(17)18/h3-6,9,16H,7-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid?
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 104553186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).