3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid

C17H27NO2 — CID 60840057

IUPAC3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(CC12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C17H27NO2/c19-16(20)3-4-18(15-1-2-15)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2,(H,19,20)
InChIKeyRGLXMEFNYAQLHM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds6

About 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid

3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid (PubChem CID 60840057) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid
PubChem CID60840057
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(CC12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C17H27NO2/c19-16(20)3-4-18(15-1-2-15)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2,(H,19,20)
InChIKeyRGLXMEFNYAQLHM-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid (CID 60840057) is 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid is O=C(O)CCN(CC12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid?
The InChIKey is RGLXMEFNYAQLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16(20)3-4-18(15-1-2-15)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2,(H,19,20).
What are the key properties of 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid?
3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-adamantylmethyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 60840057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).