2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid

C13H18N2O4 — CID 43318594

IUPAC2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
SMILESCC(C)Oc1ccc(NC(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-11-6-4-10(5-7-11)14-13(18)15(3)8-12(16)17/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJKKJYXXHSNEHHA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.02
Rot. Bonds5

About 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid

2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid (PubChem CID 43318594) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
PubChem CID43318594
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
SMILESCC(C)Oc1ccc(NC(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-11-6-4-10(5-7-11)14-13(18)15(3)8-12(16)17/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJKKJYXXHSNEHHA-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 111754633
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
3-[(4-propan-2-yloxyphenyl)carbamothioylamino]propanoic acid
CID 3008622
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
CID 62329438
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
3-[(4-butan-2-yloxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077718

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid (CID 43318594) is 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid is CC(C)Oc1ccc(NC(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid?
The InChIKey is JKKJYXXHSNEHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)19-11-6-4-10(5-7-11)14-13(18)15(3)8-12(16)17/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid?
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43318594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).