(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid

C14H20N2O3 — CID 177277698

IUPAC(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
SMILESN[C@H](CN1CCC(c2cccc(O)c2)CC1)C(=O)O
InChIInChI=1S/C14H20N2O3/c15-13(14(18)19)9-16-6-4-10(5-7-16)11-2-1-3-12(17)8-11/h1-3,8,10,13,17H,4-7,9,15H2,(H,18,19)/t13-/m1/s1
InChIKeyJBBFUNXDUHEFEK-CYBMUJFWSA-N
MW264.32 g/mol
LogP0.98
Rot. Bonds4

About (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid

(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid (PubChem CID 177277698) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
PubChem CID177277698
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
SMILESN[C@H](CN1CCC(c2cccc(O)c2)CC1)C(=O)O
InChIInChI=1S/C14H20N2O3/c15-13(14(18)19)9-16-6-4-10(5-7-16)11-2-1-3-12(17)8-11/h1-3,8,10,13,17H,4-7,9,15H2,(H,18,19)/t13-/m1/s1
InChIKeyJBBFUNXDUHEFEK-CYBMUJFWSA-N
XLogP0.98
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
CID 118239135
3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
CID 15048617
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 67026993
3-[1-[(3R)-3-amino-4-(3,4-difluorophenyl)butyl]piperidin-4-yl]phenol
CID 44523571
(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
CID 20637685
5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide
CID 173077307
3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95124446
(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125156440
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
3-cyclohexylphenol
CID 16036

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid (CID 177277698) is (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid is N[C@H](CN1CCC(c2cccc(O)c2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid?
The InChIKey is JBBFUNXDUHEFEK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-13(14(18)19)9-16-6-4-10(5-7-16)11-2-1-3-12(17)8-11/h1-3,8,10,13,17H,4-7,9,15H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid?
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 177277698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).