2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid

C14H17NO4 — CID 61398270

IUPAC2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
SMILESCC(Oc1cccc(CC(=O)O)c1)C(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-9(14(18)15-11-5-6-11)19-12-4-2-3-10(7-12)8-13(16)17/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyFWOFCFWIXVYINP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.36
Rot. Bonds6

About 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid

2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid (PubChem CID 61398270) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
PubChem CID61398270
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
SMILESCC(Oc1cccc(CC(=O)O)c1)C(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-9(14(18)15-11-5-6-11)19-12-4-2-3-10(7-12)8-13(16)17/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyFWOFCFWIXVYINP-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-[3-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 61398251
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398210
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid (CID 61398270) is 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid is CC(Oc1cccc(CC(=O)O)c1)C(=O)NC1CC1.
What is the InChIKey of 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
The InChIKey is FWOFCFWIXVYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(14(18)15-11-5-6-11)19-12-4-2-3-10(7-12)8-13(16)17/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 61398270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).