2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid

C15H25NO3 — CID 102899135

IUPAC2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO3/c17-14(18)11-16(9-12-3-4-12)10-13-5-8-15(19-13)6-1-2-7-15/h12-13H,1-11H2,(H,17,18)
InChIKeyLKXCWHAAEMVJTF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds6

About 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid

2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid (PubChem CID 102899135) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
PubChem CID102899135
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO3/c17-14(18)11-16(9-12-3-4-12)10-13-5-8-15(19-13)6-1-2-7-15/h12-13H,1-11H2,(H,17,18)
InChIKeyLKXCWHAAEMVJTF-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid (CID 102899135) is 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The InChIKey is LKXCWHAAEMVJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(18)11-16(9-12-3-4-12)10-13-5-8-15(19-13)6-1-2-7-15/h12-13H,1-11H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 102899135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).