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

C14H19NO4 — CID 98017762

IUPAC2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)Oc1ccc(CC(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10(2)19-12-6-4-11(5-7-12)8-13(16)15(3)9-14(17)18/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyLAOCPPNKVQUWII-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds6

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

2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid (PubChem CID 98017762) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
PubChem CID98017762
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)Oc1ccc(CC(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10(2)19-12-6-4-11(5-7-12)8-13(16)15(3)9-14(17)18/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyLAOCPPNKVQUWII-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119194970
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
3-(N-methyl-4-propan-2-yloxyanilino)butanoic acid
CID 112510494

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid (CID 98017762) is 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid is CC(C)Oc1ccc(CC(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The InChIKey is LAOCPPNKVQUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)19-12-6-4-11(5-7-12)8-13(16)15(3)9-14(17)18/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 98017762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).