5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid

C15H23NO4 — CID 82348478

IUPAC5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid
SMILESCCCOc1ccc(C(O)C(CCC(=O)O)NC)cc1
InChIInChI=1S/C15H23NO4/c1-3-10-20-12-6-4-11(5-7-12)15(19)13(16-2)8-9-14(17)18/h4-7,13,15-16,19H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyBPGBYSZGIHNSNU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.96
Rot. Bonds9

About 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid

5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid (PubChem CID 82348478) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid
PubChem CID82348478
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid
SMILESCCCOc1ccc(C(O)C(CCC(=O)O)NC)cc1
InChIInChI=1S/C15H23NO4/c1-3-10-20-12-6-4-11(5-7-12)15(19)13(16-2)8-9-14(17)18/h4-7,13,15-16,19H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyBPGBYSZGIHNSNU-UHFFFAOYSA-N
XLogP1.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-4-(4-propoxyphenyl)butanoic acid
CID 103440270
2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
CID 82314103
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347788
(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid
CID 40643732
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid?
The IUPAC name of 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid (CID 82348478) is 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid?
The canonical SMILES for 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid is CCCOc1ccc(C(O)C(CCC(=O)O)NC)cc1.
What is the InChIKey of 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid?
The InChIKey is BPGBYSZGIHNSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-10-20-12-6-4-11(5-7-12)15(19)13(16-2)8-9-14(17)18/h4-7,13,15-16,19H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid?
5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid is sourced from PubChem (CID 82348478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).