2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid

C15H23NO3 — CID 115352442

IUPAC2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
SMILESCCC(NC(C)c1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-14(15(17)18)16-11(4)12-6-8-13(9-7-12)19-10(2)3/h6-11,14,16H,5H2,1-4H3,(H,17,18)
InChIKeyDZVIYFHXLAKLLZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.99
Rot. Bonds7

About 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid

2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid (PubChem CID 115352442) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
PubChem CID115352442
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
SMILESCCC(NC(C)c1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-14(15(17)18)16-11(4)12-6-8-13(9-7-12)19-10(2)3/h6-11,14,16H,5H2,1-4H3,(H,17,18)
InChIKeyDZVIYFHXLAKLLZ-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
2-(1-phenylethylamino)butanamide
CID 62899453
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
(2R,4S)-4-hydroxy-4-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 101046831

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid?
The IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid (CID 115352442) is 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid.
What is the SMILES notation for 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid?
The canonical SMILES for 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid is CCC(NC(C)c1ccc(OC(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid?
The InChIKey is DZVIYFHXLAKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-14(15(17)18)16-11(4)12-6-8-13(9-7-12)19-10(2)3/h6-11,14,16H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid?
2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid is sourced from PubChem (CID 115352442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).