2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid

C15H23NO3 — CID 43169963

IUPAC2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-16(9-14(18)19)13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyKQBSDGBQJMWLKK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds4

About 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid

2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid (PubChem CID 43169963) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
PubChem CID43169963
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-16(9-14(18)19)13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyKQBSDGBQJMWLKK-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(2-bromoethyl)-N-methylacetamide
CID 80658944
2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide
CID 78909540
2-[1-adamantyl(hydroxy)amino]acetic acid
CID 87257505
2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
CID 2882420
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
2-(1-adamantyl)-N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555837
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108
1-(1-adamantyl)propan-2-one;methane
CID 157057031
2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442602
2-[1-adamantylmethyl(propyl)amino]acetic acid
CID 54899206
N-(1-adamantylmethyl)-N-methylbutanamide
CID 60682666
2-(1-adamantyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylacetamide
CID 46992355

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid (CID 43169963) is 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid?
The InChIKey is KQBSDGBQJMWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(9-14(18)19)13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid?
2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 43169963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).