2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid

C16H23NO4 — CID 61013289

IUPAC2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-9-17(10-15(18)19)16(20)14-7-5-13(6-8-14)11-21-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyCSINHIOGHHVUDL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.55
Rot. Bonds8

About 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid

2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid (PubChem CID 61013289) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
PubChem CID61013289
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-9-17(10-15(18)19)16(20)14-7-5-13(6-8-14)11-21-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyCSINHIOGHHVUDL-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(propan-2-yloxymethyl)benzoyl]-prop-2-ynylamino]acetic acid
CID 79271757
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
CID 119204732
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide
CID 55061167
2-[propyl-[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 61012642
2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
CID 107423647
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[[4-(difluoromethoxy)-3-methoxybenzoyl]-propylamino]acetic acid
CID 119204959
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid (CID 61013289) is 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid?
The InChIKey is CSINHIOGHHVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-9-17(10-15(18)19)16(20)14-7-5-13(6-8-14)11-21-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid?
2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid is sourced from PubChem (CID 61013289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).