3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid

C12H16N2O3 — CID 107321090

IUPAC3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C12H16N2O3/c13-12(11(16)17)5-6-14(8-12)7-9-1-3-10(15)4-2-9/h1-4,15H,5-8,13H2,(H,16,17)
InChIKeyDWHKWQOLLIPRFB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107321090) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID107321090
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C12H16N2O3/c13-12(11(16)17)5-6-14(8-12)7-9-1-3-10(15)4-2-9/h1-4,15H,5-8,13H2,(H,16,17)
InChIKeyDWHKWQOLLIPRFB-UHFFFAOYSA-N
XLogP0.38
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(3-chloro-4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321061
(3S)-3-amino-1-[(3,5-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 95206566
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
3-amino-1-[(2-chloro-6-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321493
3-amino-1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107321157
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
3-amino-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324306
3-amino-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324529
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320746

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 107321090) is 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(Cc2ccc(O)cc2)C1.
What is the InChIKey of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DWHKWQOLLIPRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-12(11(16)17)5-6-14(8-12)7-9-1-3-10(15)4-2-9/h1-4,15H,5-8,13H2,(H,16,17).
What are the key properties of 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).