2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid

C14H25NO3 — CID 79893899

IUPAC2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25NO3/c1-3-12(13(16)17)15(2)11-6-9-18-14(10-11)7-4-5-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeySHEXWSFNPMMGOG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds4

About 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid

2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid (PubChem CID 79893899) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
PubChem CID79893899
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25NO3/c1-3-12(13(16)17)15(2)11-6-9-18-14(10-11)7-4-5-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeySHEXWSFNPMMGOG-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893827
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
2-[methyl(oxepan-4-yl)amino]butanoic acid
CID 65080725
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
CID 79919415

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid?
The IUPAC name of 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid (CID 79893899) is 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid is CCC(C(=O)O)N(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid?
The InChIKey is SHEXWSFNPMMGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-12(13(16)17)15(2)11-6-9-18-14(10-11)7-4-5-8-14/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid?
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid is sourced from PubChem (CID 79893899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).