2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid

C15H22N2O5 — CID 68964643

IUPAC2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid
SMILESCCCCC(C(=O)N1CCC[C@@H]1c1ncco1)C(O)C(=O)O
InChIInChI=1S/C15H22N2O5/c1-2-3-5-10(12(18)15(20)21)14(19)17-8-4-6-11(17)13-16-7-9-22-13/h7,9-12,18H,2-6,8H2,1H3,(H,20,21)/t10?,11-,12?/m1/s1
InChIKeyVHHUPKUOOKEIIC-MOENNCHZSA-N
MW310.35 g/mol
LogP1.59
Rot. Bonds7

About 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid

2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid (PubChem CID 68964643) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid
PubChem CID68964643
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid
SMILESCCCCC(C(=O)N1CCC[C@@H]1c1ncco1)C(O)C(=O)O
InChIInChI=1S/C15H22N2O5/c1-2-3-5-10(12(18)15(20)21)14(19)17-8-4-6-11(17)13-16-7-9-22-13/h7,9-12,18H,2-6,8H2,1H3,(H,20,21)/t10?,11-,12?/m1/s1
InChIKeyVHHUPKUOOKEIIC-MOENNCHZSA-N
XLogP1.59
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic 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 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid?
The IUPAC name of 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid (CID 68964643) is 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid is CCCCC(C(=O)N1CCC[C@@H]1c1ncco1)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid?
The InChIKey is VHHUPKUOOKEIIC-MOENNCHZSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-2-3-5-10(12(18)15(20)21)14(19)17-8-4-6-11(17)13-16-7-9-22-13/h7,9-12,18H,2-6,8H2,1H3,(H,20,21)/t10?,11-,12?/m1/s1.
What are the key properties of 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid?
2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid has a molecular weight of 310.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid is sourced from PubChem (CID 68964643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).