(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H18N2O5 — CID 79028885

IUPAC(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)COCC1N
InChIInChI=1S/C11H18N2O5/c1-11(5-18-4-8(11)12)10(17)13-3-6(14)2-7(13)9(15)16/h6-8,14H,2-5,12H2,1H3,(H,15,16)/t6-,7-,8?,11?/m1/s1
InChIKeyVINYYIYICFYWHZ-LJISRJRGSA-N
MW258.27 g/mol
LogP-1.60
Rot. Bonds2

About (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79028885) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79028885
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)COCC1N
InChIInChI=1S/C11H18N2O5/c1-11(5-18-4-8(11)12)10(17)13-3-6(14)2-7(13)9(15)16/h6-8,14H,2-5,12H2,1H3,(H,15,16)/t6-,7-,8?,11?/m1/s1
InChIKeyVINYYIYICFYWHZ-LJISRJRGSA-N
XLogP-1.60
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-(4-amino-3-methyloxolane-3-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-(3-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64892840
(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115294948
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958611
3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66264325
(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 113482253
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 115559743
(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66235685
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79028885) is (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)COCC1N.
What is the InChIKey of (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VINYYIYICFYWHZ-LJISRJRGSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(5-18-4-8(11)12)10(17)13-3-6(14)2-7(13)9(15)16/h6-8,14H,2-5,12H2,1H3,(H,15,16)/t6-,7-,8?,11?/m1/s1.
What are the key properties of (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79028885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).