4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid

C19H27NO5 — CID 119250789

IUPAC4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)N2CCC(O)(C(=O)O)CC2)c1
InChIInChI=1S/C19H27NO5/c1-12(2)15-6-5-13(3)11-16(15)25-14(4)17(21)20-9-7-19(24,8-10-20)18(22)23/h5-6,11-12,14,24H,7-10H2,1-4H3,(H,22,23)
InChIKeyXOKAMCRBRVIRCT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.32
Rot. Bonds5

About 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119250789) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid
PubChem CID119250789
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)N2CCC(O)(C(=O)O)CC2)c1
InChIInChI=1S/C19H27NO5/c1-12(2)15-6-5-13(3)11-16(15)25-14(4)17(21)20-9-7-19(24,8-10-20)18(22)23/h5-6,11-12,14,24H,7-10H2,1-4H3,(H,22,23)
InChIKeyXOKAMCRBRVIRCT-UHFFFAOYSA-N
XLogP2.32
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174445
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 124588788
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 94055687
2-[methyl-[(4R)-1-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399215
2-[methyl-[(4S)-1-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399213
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 55918183
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 119664096
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119664095
3-[4-[(2R)-2-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125151357
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid (CID 119250789) is 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid is Cc1ccc(C(C)C)c(OC(C)C(=O)N2CCC(O)(C(=O)O)CC2)c1.
What is the InChIKey of 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is XOKAMCRBRVIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-12(2)15-6-5-13(3)11-16(15)25-14(4)17(21)20-9-7-19(24,8-10-20)18(22)23/h5-6,11-12,14,24H,7-10H2,1-4H3,(H,22,23).
What are the key properties of 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).