3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid

C13H16N2O4 — CID 107323165

IUPAC3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C13H16N2O4/c14-13(12(18)19)5-6-15(8-13)11(17)7-9-3-1-2-4-10(9)16/h1-4,16H,5-8,14H2,(H,18,19)
InChIKeyRWHMPOCYZNUVAY-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.05
Rot. Bonds3

About 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 107323165) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID107323165
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C13H16N2O4/c14-13(12(18)19)5-6-15(8-13)11(17)7-9-3-1-2-4-10(9)16/h1-4,16H,5-8,14H2,(H,18,19)
InChIKeyRWHMPOCYZNUVAY-UHFFFAOYSA-N
XLogP-0.05
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
3-amino-1-[2-(4-bromophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323700
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-amino-1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107322940
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 107654401
3-amino-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323346
(3S)-1-[2-(2-bromophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698081
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid (CID 107323165) is 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)Cc2ccccc2O)C1.
What is the InChIKey of 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RWHMPOCYZNUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-13(12(18)19)5-6-15(8-13)11(17)7-9-3-1-2-4-10(9)16/h1-4,16H,5-8,14H2,(H,18,19).
What are the key properties of 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).