1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid

C17H31NO2 — CID 23009779

IUPAC1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid
SMILESCC12CC3CC(C1)CC(C)(C3)C2.CCN(C)CC(=O)O
InChIInChI=1S/C12H20.C5H11NO2/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11;1-3-6(2)4-5(7)8/h9-10H,3-8H2,1-2H3;3-4H2,1-2H3,(H,7,8)
InChIKeyVPDUNBRXURRDFA-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.64
Rot. Bonds3

About 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid

1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid (PubChem CID 23009779) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid
PubChem CID23009779
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid
SMILESCC12CC3CC(C1)CC(C)(C3)C2.CCN(C)CC(=O)O
InChIInChI=1S/C12H20.C5H11NO2/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11;1-3-6(2)4-5(7)8/h9-10H,3-8H2,1-2H3;3-4H2,1-2H3,(H,7,8)
InChIKeyVPDUNBRXURRDFA-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid?
The IUPAC name of 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid (CID 23009779) is 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid.
What is the SMILES notation for 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid?
The canonical SMILES for 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid is CC12CC3CC(C1)CC(C)(C3)C2.CCN(C)CC(=O)O.
What is the InChIKey of 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid?
The InChIKey is VPDUNBRXURRDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C5H11NO2/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11;1-3-6(2)4-5(7)8/h9-10H,3-8H2,1-2H3;3-4H2,1-2H3,(H,7,8).
What are the key properties of 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid?
1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid has a molecular weight of 281.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid is sourced from PubChem (CID 23009779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).