(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid

C13H19N3O2 — CID 124784509

IUPAC(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESNC[C@@H](c1ccccc1N)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c14-7-12(10-3-1-2-4-11(10)15)16-6-5-9(8-16)13(17)18/h1-4,9,12H,5-8,14-15H2,(H,17,18)/t9-,12+/m1/s1
InChIKeyNMGKFFIUIMKEKZ-SKDRFNHKSA-N
MW249.31 g/mol
LogP0.68
Rot. Bonds4

About (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 124784509) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID124784509
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESNC[C@@H](c1ccccc1N)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c14-7-12(10-3-1-2-4-11(10)15)16-6-5-9(8-16)13(17)18/h1-4,9,12H,5-8,14-15H2,(H,17,18)/t9-,12+/m1/s1
InChIKeyNMGKFFIUIMKEKZ-SKDRFNHKSA-N
XLogP0.68
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915
1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890902
(3R)-1-[(1S)-2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124824548
1-[2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890949
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
tert-butyl N-[(3S)-1-[(1S)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 124525327
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 124784509) is (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid is NC[C@@H](c1ccccc1N)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NMGKFFIUIMKEKZ-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-7-12(10-3-1-2-4-11(10)15)16-6-5-9(8-16)13(17)18/h1-4,9,12H,5-8,14-15H2,(H,17,18)/t9-,12+/m1/s1.
What are the key properties of (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124784509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).