5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid

C17H27NO3 — CID 24947238

IUPAC5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO3/c1-17(2,9-15(20)21)8-14(19)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPGMRHIYJTLQMRR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds5

About 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 24947238) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID24947238
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO3/c1-17(2,9-15(20)21)8-14(19)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPGMRHIYJTLQMRR-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 24947238) is 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is PGMRHIYJTLQMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,9-15(20)21)8-14(19)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,3-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-adamantylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 24947238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).