4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid

C14H25NO3 — CID 113440466

IUPAC4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid
SMILESNCCC(C(=O)O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H25NO3/c15-8-4-12(13(16)17)11-5-9-18-14(10-11)6-2-1-3-7-14/h11-12H,1-10,15H2,(H,16,17)
InChIKeyMFXFZOWHDCSNMI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid

4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid (PubChem CID 113440466) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid
PubChem CID113440466
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid
SMILESNCCC(C(=O)O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H25NO3/c15-8-4-12(13(16)17)11-5-9-18-14(10-11)6-2-1-3-7-14/h11-12H,1-10,15H2,(H,16,17)
InChIKeyMFXFZOWHDCSNMI-UHFFFAOYSA-N
XLogP2.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
CID 97050508
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid?
The IUPAC name of 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid (CID 113440466) is 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid is NCCC(C(=O)O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid?
The InChIKey is MFXFZOWHDCSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c15-8-4-12(13(16)17)11-5-9-18-14(10-11)6-2-1-3-7-14/h11-12H,1-10,15H2,(H,16,17).
What are the key properties of 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid?
4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid is sourced from PubChem (CID 113440466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).