2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid

C14H18BrNO4 — CID 119205657

IUPAC2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C14H18BrNO4/c1-3-8-16(9-13(17)18)14(19)10(2)20-12-7-5-4-6-11(12)15/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyMFHJMQOOMPJGDC-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.54
Rot. Bonds7

About 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid

2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid (PubChem CID 119205657) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid
PubChem CID119205657
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C14H18BrNO4/c1-3-8-16(9-13(17)18)14(19)10(2)20-12-7-5-4-6-11(12)15/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyMFHJMQOOMPJGDC-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromophenoxy)acetyl]-propylamino]acetic acid
CID 120519580
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695569
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
2-[[1-[2-(2-bromophenoxy)propanoyl]piperidin-4-yl]-methylamino]acetic acid
CID 128998127
2-[2-benzamidopropanoyl(propyl)amino]acetic acid
CID 61012746
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid?
The IUPAC name of 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid (CID 119205657) is 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C(C)Oc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid?
The InChIKey is MFHJMQOOMPJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-3-8-16(9-13(17)18)14(19)10(2)20-12-7-5-4-6-11(12)15/h4-7,10H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid?
2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid has a molecular weight of 344.21 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid is sourced from PubChem (CID 119205657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).