1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid

C14H18N2O4 — CID 104905127

IUPAC1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c15-12(7-9-1-3-11(17)4-2-9)13(18)16-6-5-10(8-16)14(19)20/h1-4,10,12,17H,5-8,15H2,(H,19,20)/t10?,12-/m1/s1
InChIKeyIHZQIMQNHCZUKL-TVKKRMFBSA-N
MW278.31 g/mol
LogP0.20
Rot. Bonds4

About 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid

1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 104905127) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID104905127
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c15-12(7-9-1-3-11(17)4-2-9)13(18)16-6-5-10(8-16)14(19)20/h1-4,10,12,17H,5-8,15H2,(H,19,20)/t10?,12-/m1/s1
InChIKeyIHZQIMQNHCZUKL-TVKKRMFBSA-N
XLogP0.20
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
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
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
(2S)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61148613
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 70065985

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid (CID 104905127) is 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid is N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IHZQIMQNHCZUKL-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-12(7-9-1-3-11(17)4-2-9)13(18)16-6-5-10(8-16)14(19)20/h1-4,10,12,17H,5-8,15H2,(H,19,20)/t10?,12-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104905127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).