(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid

C15H20N2O4 — CID 81121192

IUPAC(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c16-13(8-10-3-5-12(18)6-4-10)14(19)17-7-1-2-11(9-17)15(20)21/h3-6,11,13,18H,1-2,7-9,16H2,(H,20,21)/t11-,13-/m0/s1
InChIKeyRSMYPLUPOVSSGR-AAEUAGOBSA-N
MW292.33 g/mol
LogP0.59
Rot. Bonds4

About (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid

(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 81121192) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID81121192
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c16-13(8-10-3-5-12(18)6-4-10)14(19)17-7-1-2-11(9-17)15(20)21/h3-6,11,13,18H,1-2,7-9,16H2,(H,20,21)/t11-,13-/m0/s1
InChIKeyRSMYPLUPOVSSGR-AAEUAGOBSA-N
XLogP0.59
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106586844
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103868722
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid (CID 81121192) is (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid is N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is RSMYPLUPOVSSGR-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-13(8-10-3-5-12(18)6-4-10)14(19)17-7-1-2-11(9-17)15(20)21/h3-6,11,13,18H,1-2,7-9,16H2,(H,20,21)/t11-,13-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81121192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).