2-(2-adamantylamino)propanoic acid

C13H21NO2 — CID 61499688

IUPAC2-(2-adamantylamino)propanoic acid
SMILESCC(NC1C2CC3CC(C2)CC1C3)C(=O)O
InChIInChI=1S/C13H21NO2/c1-7(13(15)16)14-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12,14H,2-6H2,1H3,(H,15,16)
InChIKeyVHFYAVUSJBYFDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-adamantylamino)propanoic acid

2-(2-adamantylamino)propanoic acid (PubChem CID 61499688) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-adamantylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-adamantylamino)propanoic acid
PubChem CID61499688
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-adamantylamino)propanoic acid
SMILESCC(NC1C2CC3CC(C2)CC1C3)C(=O)O
InChIInChI=1S/C13H21NO2/c1-7(13(15)16)14-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12,14H,2-6H2,1H3,(H,15,16)
InChIKeyVHFYAVUSJBYFDN-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)propanoic acid?
The IUPAC name of 2-(2-adamantylamino)propanoic acid (CID 61499688) is 2-(2-adamantylamino)propanoic acid.
What is the SMILES notation for 2-(2-adamantylamino)propanoic acid?
The canonical SMILES for 2-(2-adamantylamino)propanoic acid is CC(NC1C2CC3CC(C2)CC1C3)C(=O)O.
What is the InChIKey of 2-(2-adamantylamino)propanoic acid?
The InChIKey is VHFYAVUSJBYFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-7(13(15)16)14-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(2-adamantylamino)propanoic acid?
2-(2-adamantylamino)propanoic acid has a molecular weight of 223.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)propanoic acid is sourced from PubChem (CID 61499688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).