(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid

C12H21NO3 — CID 106702778

IUPAC(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
SMILESN[C@H](CC1CCC2(CCCCC2)O1)C(=O)O
InChIInChI=1S/C12H21NO3/c13-10(11(14)15)8-9-4-7-12(16-9)5-2-1-3-6-12/h9-10H,1-8,13H2,(H,14,15)/t9?,10-/m1/s1
InChIKeyQXWBSLFZXKCKCA-QVDQXJPCSA-N
MW227.30 g/mol
LogP1.67
Rot. Bonds3

About (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid

(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid (PubChem CID 106702778) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
PubChem CID106702778
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
SMILESN[C@H](CC1CCC2(CCCCC2)O1)C(=O)O
InChIInChI=1S/C12H21NO3/c13-10(11(14)15)8-9-4-7-12(16-9)5-2-1-3-6-12/h9-10H,1-8,13H2,(H,14,15)/t9?,10-/m1/s1
InChIKeyQXWBSLFZXKCKCA-QVDQXJPCSA-N
XLogP1.67
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293
diethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propanedioate
CID 102899337
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
2-cyclopentyl-3-(1-oxaspiro[4.5]decan-2-yl)propan-1-ol
CID 102902071
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896298
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
CID 102898959
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butanoic acid
CID 102899718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid (CID 106702778) is (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid is N[C@H](CC1CCC2(CCCCC2)O1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid?
The InChIKey is QXWBSLFZXKCKCA-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H21NO3/c13-10(11(14)15)8-9-4-7-12(16-9)5-2-1-3-6-12/h9-10H,1-8,13H2,(H,14,15)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid?
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid is sourced from PubChem (CID 106702778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).