(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid

C15H22N2O3 — CID 67452418

IUPAC(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
SMILESN[C@@H](CCC(=O)O)c1ccccc1N1CCC(O)CC1
InChIInChI=1S/C15H22N2O3/c16-13(5-6-15(19)20)12-3-1-2-4-14(12)17-9-7-11(18)8-10-17/h1-4,11,13,18H,5-10,16H2,(H,19,20)/t13-/m0/s1
InChIKeySQGSANZAXXZQSO-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds5

About (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid

(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid (PubChem CID 67452418) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
PubChem CID67452418
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
SMILESN[C@@H](CCC(=O)O)c1ccccc1N1CCC(O)CC1
InChIInChI=1S/C15H22N2O3/c16-13(5-6-15(19)20)12-3-1-2-4-14(12)17-9-7-11(18)8-10-17/h1-4,11,13,18H,5-10,16H2,(H,19,20)/t13-/m0/s1
InChIKeySQGSANZAXXZQSO-ZDUSSCGKSA-N
XLogP1.51
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-[2-(4-methyl-3,5-dioxopiperazin-1-yl)phenyl]butanoic acid
CID 117490624
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117444266
3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
CID 117374279
4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219
3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
CID 119953315
4-amino-4-[2-(4-methylcyclohexyl)phenyl]butanoic acid
CID 117440873
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
4-amino-4-[2-(oxolan-3-yl)phenyl]butanoic acid
CID 117376430
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid?
The IUPAC name of (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid (CID 67452418) is (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid is N[C@@H](CCC(=O)O)c1ccccc1N1CCC(O)CC1.
What is the InChIKey of (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid?
The InChIKey is SQGSANZAXXZQSO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13(5-6-15(19)20)12-3-1-2-4-14(12)17-9-7-11(18)8-10-17/h1-4,11,13,18H,5-10,16H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid?
(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 67452418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).