1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid

C14H20N2O3 — CID 70215811

IUPAC1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESN[C@@H](Cc1ccc(O)cc1)CN1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c15-11(8-10-3-5-12(17)6-4-10)9-16-7-1-2-13(16)14(18)19/h3-6,11,13,17H,1-2,7-9,15H2,(H,18,19)/t11-,13?/m0/s1
InChIKeyYBLWKHXDMKHTSK-AMGKYWFPSA-N
MW264.32 g/mol
LogP0.81
Rot. Bonds5

About 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid

1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 70215811) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID70215811
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESN[C@@H](Cc1ccc(O)cc1)CN1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c15-11(8-10-3-5-12(17)6-4-10)9-16-7-1-2-13(16)14(18)19/h3-6,11,13,17H,1-2,7-9,15H2,(H,18,19)/t11-,13?/m0/s1
InChIKeyYBLWKHXDMKHTSK-AMGKYWFPSA-N
XLogP0.81
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103868722
(2S)-1-[(2R)-2-amino-3-sulfanylpropyl]pyrrolidine-2-carboxylic acid
CID 86749247
(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid
CID 68524522
(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 145453709
1-[2-[(2-amino-3-carboxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 18219719
(2S)-1-[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 175752307
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
(2S)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 175691249
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
(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
(2R)-1-[(2R)-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 71419917

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid (CID 70215811) is 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid is N[C@@H](Cc1ccc(O)cc1)CN1CCCC1C(=O)O.
What is the InChIKey of 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YBLWKHXDMKHTSK-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-11(8-10-3-5-12(17)6-4-10)9-16-7-1-2-13(16)14(18)19/h3-6,11,13,17H,1-2,7-9,15H2,(H,18,19)/t11-,13?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70215811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).