(3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid

C17H17N3O3 — CID 95123478

IUPAC(3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3)nc2)C1
InChIInChI=1S/C17H17N3O3/c21-16-8-13(17(22)23)11-20(16)14-6-7-15(19-10-14)18-9-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,18,19)(H,22,23)/t13-/m1/s1
InChIKeyHOMVPQCXUWZDOH-CYBMUJFWSA-N
MW311.34 g/mol
LogP2.13
Rot. Bonds5

About (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 95123478) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID95123478
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3)nc2)C1
InChIInChI=1S/C17H17N3O3/c21-16-8-13(17(22)23)11-20(16)14-6-7-15(19-10-14)18-9-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,18,19)(H,22,23)/t13-/m1/s1
InChIKeyHOMVPQCXUWZDOH-CYBMUJFWSA-N
XLogP2.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
N-benzyl-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 45491975
methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694749
4-amino-1-(6-anilino-3-pyridinyl)pyrrolidin-2-one
CID 168700669
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056074
(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
CID 95121101

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid (CID 95123478) is (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3)nc2)C1.
What is the InChIKey of (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HOMVPQCXUWZDOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16-8-13(17(22)23)11-20(16)14-6-7-15(19-10-14)18-9-12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,18,19)(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(benzylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95123478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).