1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide

C17H27N3O3 — CID 77442649

IUPAC1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H27N3O3/c18-15(22)13-2-1-3-20(13)14(21)9-19-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,19,23H,1-10H2,(H2,18,22)
InChIKeyIUJJPEBUSBVYIP-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.14
Rot. Bonds4

About 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide

1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 77442649) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID77442649
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H27N3O3/c18-15(22)13-2-1-3-20(13)14(21)9-19-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,19,23H,1-10H2,(H2,18,22)
InChIKeyIUJJPEBUSBVYIP-UHFFFAOYSA-N
XLogP0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide (CID 77442649) is 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is IUJJPEBUSBVYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c18-15(22)13-2-1-3-20(13)14(21)9-19-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,19,23H,1-10H2,(H2,18,22).
What are the key properties of 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide?
1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 77442649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).