3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid

C16H29NO3 — CID 79893598

IUPAC3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO3/c1-15(2,3)17(10-6-14(18)19)13-7-11-20-16(12-13)8-4-5-9-16/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyRGRQKJUTRRFOES-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.05
Rot. Bonds4

About 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid

3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid (PubChem CID 79893598) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid
PubChem CID79893598
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO3/c1-15(2,3)17(10-6-14(18)19)13-7-11-20-16(12-13)8-4-5-9-16/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyRGRQKJUTRRFOES-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[tert-butyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79901108
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
CID 79919397
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
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-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid (CID 79893598) is 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid?
The InChIKey is RGRQKJUTRRFOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)17(10-6-14(18)19)13-7-11-20-16(12-13)8-4-5-9-16/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid?
3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid is sourced from PubChem (CID 79893598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).