2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid

C17H26N2O4 — CID 66555227

IUPAC2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid
SMILESO=C(O)CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C17H26N2O4/c20-15(21)9-19-1-2-23-14(8-19)17(22)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-14,16H,1-9H2,(H,18,22)(H,20,21)
InChIKeyKHBDLPMKJCHWTM-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.71
Rot. Bonds4

About 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid

2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid (PubChem CID 66555227) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid
PubChem CID66555227
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid
SMILESO=C(O)CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C17H26N2O4/c20-15(21)9-19-1-2-23-14(8-19)17(22)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-14,16H,1-9H2,(H,18,22)(H,20,21)
InChIKeyKHBDLPMKJCHWTM-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid (CID 66555227) is 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid is O=C(O)CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid?
The InChIKey is KHBDLPMKJCHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c20-15(21)9-19-1-2-23-14(8-19)17(22)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-14,16H,1-9H2,(H,18,22)(H,20,21).
What are the key properties of 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid?
2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid is sourced from PubChem (CID 66555227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).