2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid

C11H13NO4 — CID 170185856

IUPAC2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
SMILESNC(=O)CCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H13NO4/c12-10(13)6-3-8-1-4-9(5-2-8)16-7-11(14)15/h1-2,4-5H,3,6-7H2,(H2,12,13)(H,14,15)
InChIKeyFUQQXPJXEUSKJQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.57
Rot. Bonds6

About 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid

2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid (PubChem CID 170185856) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
PubChem CID170185856
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
SMILESNC(=O)CCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H13NO4/c12-10(13)6-3-8-1-4-9(5-2-8)16-7-11(14)15/h1-2,4-5H,3,6-7H2,(H2,12,13)(H,14,15)
InChIKeyFUQQXPJXEUSKJQ-UHFFFAOYSA-N
XLogP0.57
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-[4-[(4-phenacyloxyphenyl)methoxy]phenyl]propanamide
CID 66685338
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid
CID 153492689
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
2-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313
2-(4-octylphenoxy)acetic acid
CID 27145
3-[4-(2,3-dimethylbut-2-enoxy)phenyl]propanoic acid
CID 166628127

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid (CID 170185856) is 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid is NC(=O)CCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid?
The InChIKey is FUQQXPJXEUSKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c12-10(13)6-3-8-1-4-9(5-2-8)16-7-11(14)15/h1-2,4-5H,3,6-7H2,(H2,12,13)(H,14,15).
What are the key properties of 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid?
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid is sourced from PubChem (CID 170185856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).