2-[1-adamantylmethyl(propyl)amino]acetic acid

C16H27NO2 — CID 54899206

IUPAC2-[1-adamantylmethyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-2-3-17(10-15(18)19)11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeyGBYLVNCQQMPZNG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-adamantylmethyl(propyl)amino]acetic acid

2-[1-adamantylmethyl(propyl)amino]acetic acid (PubChem CID 54899206) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-adamantylmethyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-adamantylmethyl(propyl)amino]acetic acid
PubChem CID54899206
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[1-adamantylmethyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-2-3-17(10-15(18)19)11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeyGBYLVNCQQMPZNG-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylmethyl(propyl)amino]acetic acid?
The IUPAC name of 2-[1-adamantylmethyl(propyl)amino]acetic acid (CID 54899206) is 2-[1-adamantylmethyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[1-adamantylmethyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[1-adamantylmethyl(propyl)amino]acetic acid is CCCN(CC(=O)O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylmethyl(propyl)amino]acetic acid?
The InChIKey is GBYLVNCQQMPZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-17(10-15(18)19)11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-adamantylmethyl(propyl)amino]acetic acid?
2-[1-adamantylmethyl(propyl)amino]acetic acid has a molecular weight of 265.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylmethyl(propyl)amino]acetic acid is sourced from PubChem (CID 54899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).