2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid

C14H25NO3 — CID 79893686

IUPAC2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid
SMILESCC(C)(NC1CCOC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,12(16)17)15-11-6-9-18-14(10-11)7-4-3-5-8-14/h11,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyCQMDZQJLADZCQR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid

2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid (PubChem CID 79893686) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid
PubChem CID79893686
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid
SMILESCC(C)(NC1CCOC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,12(16)17)15-11-6-9-18-14(10-11)7-4-3-5-8-14/h11,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyCQMDZQJLADZCQR-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid
CID 79900873
3,3,3-Trifluoro-2-methyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid
CID 79901158
2-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79901159
3,3,3-Trifluoro-2-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanoic acid
CID 79901712
Tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate
CID 18414280
tert-butyl 1-[[(2S)-1-hydroxypropan-2-yl]amino]cyclohexane-1-carboxylate
CID 70171721
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid
CID 70411923
rel-Methyl 2-(((1r,4r)-4-(3-hydroxypropyl)cyclohexyl)amino)-2-methylpropanoate
CID 162510317
Methyl 2-[[4-(4-hydroxybutyl)cyclohexyl]amino]-2-methylpropanoate
CID 162510385
Ethyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
CID 54960237
Ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
CID 61499120
Methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
CID 61499367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid (CID 79893686) is 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid is CC(C)(NC1CCOC2(CCCCC2)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid?
The InChIKey is CQMDZQJLADZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,12(16)17)15-11-6-9-18-14(10-11)7-4-3-5-8-14/h11,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid?
2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-oxaspiro[5.5]undecan-4-ylamino)propanoic acid is sourced from PubChem (CID 79893686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).