(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 64712535

IUPAC(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H18N2O4/c18-12-7-13(14(19)20)17(9-12)15(21)16-6-5-10-3-1-2-4-11(10)8-16/h1-4,12-13,18H,5-9H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyVEVVNQXEWHMDRD-STQMWFEESA-N
MW290.32 g/mol
LogP0.68
Rot. Bonds1

About (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64712535) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64712535
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H18N2O4/c18-12-7-13(14(19)20)17(9-12)15(21)16-6-5-10-3-1-2-4-11(10)8-16/h1-4,12-13,18H,5-9H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyVEVVNQXEWHMDRD-STQMWFEESA-N
XLogP0.68
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999428
(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184197
(2R,4R)-4-hydroxy-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 106316043
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3625691
(3R)-2-(3-hydroxypyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62944005
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
(2S,4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyloxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67276779
(2S,4S)-4-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79005333
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64712535) is (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VEVVNQXEWHMDRD-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-7-13(14(19)20)17(9-12)15(21)16-6-5-10-3-1-2-4-11(10)8-16/h1-4,12-13,18H,5-9H2,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64712535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).