2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid

C16H29NO3 — CID 102899153

IUPAC2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO3/c1-3-13(2)17(12-15(18)19)11-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyHREIPEFDDYGLJQ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.05
Rot. Bonds6

About 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid

2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid (PubChem CID 102899153) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
PubChem CID102899153
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO3/c1-3-13(2)17(12-15(18)19)11-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyHREIPEFDDYGLJQ-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896297
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butanoic acid
CID 102899718
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242
4-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899237
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899238
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896298
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid (CID 102899153) is 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid is CCC(C)N(CC(=O)O)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The InChIKey is HREIPEFDDYGLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-13(2)17(12-15(18)19)11-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid has a molecular weight of 283.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 102899153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).