2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid

C15H23NO4 — CID 60833895

IUPAC2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
SMILESCCC(C)N(CCOc1ccc(OC)cc1)CC(=O)O
InChIInChI=1S/C15H23NO4/c1-4-12(2)16(11-15(17)18)9-10-20-14-7-5-13(19-3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyDFSNHKWNFPRPAH-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.26
Rot. Bonds9

About 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid

2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid (PubChem CID 60833895) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
PubChem CID60833895
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
SMILESCCC(C)N(CCOc1ccc(OC)cc1)CC(=O)O
InChIInChI=1S/C15H23NO4/c1-4-12(2)16(11-15(17)18)9-10-20-14-7-5-13(19-3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyDFSNHKWNFPRPAH-UHFFFAOYSA-N
XLogP2.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butan-2-yl-[2-(4-methylphenoxy)ethyl]amino]-2-methylpropanoic acid
CID 82329442
2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
CID 60833285
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
CID 62826031
2-[(4-butoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043977
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
CID 113165945
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067057
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
CID 65057445
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid (CID 60833895) is 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid is CCC(C)N(CCOc1ccc(OC)cc1)CC(=O)O.
What is the InChIKey of 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid?
The InChIKey is DFSNHKWNFPRPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-12(2)16(11-15(17)18)9-10-20-14-7-5-13(19-3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid has a molecular weight of 281.35 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 60833895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).