(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 5329289

IUPAC(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCNC(=O)[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C14H25N3O4/c1-7(2)5-10(16-8(3)18)12-9(13(19)15-4)6-11(17-12)14(20)21/h7,9-12,17H,5-6H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t9-,10+,11-,12-/m1/s1
InChIKeyRDIUMFZFPCOBIQ-WRWGMCAJSA-N
MW299.37 g/mol
LogP-0.29
Rot. Bonds6

About (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 5329289) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID5329289
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCNC(=O)[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C14H25N3O4/c1-7(2)5-10(16-8(3)18)12-9(13(19)15-4)6-11(17-12)14(20)21/h7,9-12,17H,5-6H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t9-,10+,11-,12-/m1/s1
InChIKeyRDIUMFZFPCOBIQ-WRWGMCAJSA-N
XLogP-0.29
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 5329289) is (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid is CNC(=O)[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O.
What is the InChIKey of (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RDIUMFZFPCOBIQ-WRWGMCAJSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-7(2)5-10(16-8(3)18)12-9(13(19)15-4)6-11(17-12)14(20)21/h7,9-12,17H,5-6H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5329289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).