2-(2-amino-1-adamantyl)propanoic acid

C13H21NO2 — CID 70418861

IUPAC2-(2-amino-1-adamantyl)propanoic acid
SMILESCC(C(=O)O)C12CC3CC(CC(C3)C1N)C2
InChIInChI=1S/C13H21NO2/c1-7(12(15)16)13-5-8-2-9(6-13)4-10(3-8)11(13)14/h7-11H,2-6,14H2,1H3,(H,15,16)
InChIKeyXHXNJAVAGFMEJP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds2

About 2-(2-amino-1-adamantyl)propanoic acid

2-(2-amino-1-adamantyl)propanoic acid (PubChem CID 70418861) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-amino-1-adamantyl)propanoic acid.

Molecular Properties

Compound Name2-(2-amino-1-adamantyl)propanoic acid
PubChem CID70418861
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-amino-1-adamantyl)propanoic acid
SMILESCC(C(=O)O)C12CC3CC(CC(C3)C1N)C2
InChIInChI=1S/C13H21NO2/c1-7(12(15)16)13-5-8-2-9(6-13)4-10(3-8)11(13)14/h7-11H,2-6,14H2,1H3,(H,15,16)
InChIKeyXHXNJAVAGFMEJP-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-2-(2-methyl-1-adamantyl)acetic acid
CID 87461971
2-[3-(1-carboxyethyl)-1-adamantyl]propanoic acid
CID 170199454
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
CID 102057489
2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride
CID 70525971
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one
CID 142755612
(2R)-2-(1-adamantylamino)propanamide
CID 9358538
2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
CID 131675912
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-adamantyl)propanoic acid?
The IUPAC name of 2-(2-amino-1-adamantyl)propanoic acid (CID 70418861) is 2-(2-amino-1-adamantyl)propanoic acid.
What is the SMILES notation for 2-(2-amino-1-adamantyl)propanoic acid?
The canonical SMILES for 2-(2-amino-1-adamantyl)propanoic acid is CC(C(=O)O)C12CC3CC(CC(C3)C1N)C2.
What is the InChIKey of 2-(2-amino-1-adamantyl)propanoic acid?
The InChIKey is XHXNJAVAGFMEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-7(12(15)16)13-5-8-2-9(6-13)4-10(3-8)11(13)14/h7-11H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-1-adamantyl)propanoic acid?
2-(2-amino-1-adamantyl)propanoic acid has a molecular weight of 223.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-adamantyl)propanoic acid is sourced from PubChem (CID 70418861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).