1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C16H24N2O4 — CID 16768933

IUPAC1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O4/c19-12-4-13(14(20)21)18(8-12)15(22)17-16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,19H,1-8H2,(H,17,22)(H,20,21)
InChIKeyKKANMMQTIYHHEO-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.18
Rot. Bonds2

About 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 16768933) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID16768933
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O4/c19-12-4-13(14(20)21)18(8-12)15(22)17-16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,19H,1-8H2,(H,17,22)(H,20,21)
InChIKeyKKANMMQTIYHHEO-UHFFFAOYSA-N
XLogP1.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantylcarbamoyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 16768933) is 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is KKANMMQTIYHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-12-4-13(14(20)21)18(8-12)15(22)17-16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,19H,1-8H2,(H,17,22)(H,20,21).
What are the key properties of 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16768933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).