(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid

C10H17NO3 — CID 97050508

IUPAC(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1CCOC2(CCC2)C1
InChIInChI=1S/C10H17NO3/c11-8(9(12)13)7-2-5-14-10(6-7)3-1-4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyGNLBTSUUPGNIPG-SFYZADRCSA-N
MW199.25 g/mol
LogP0.75
Rot. Bonds2

About (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid

(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid (PubChem CID 97050508) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
PubChem CID97050508
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1CCOC2(CCC2)C1
InChIInChI=1S/C10H17NO3/c11-8(9(12)13)7-2-5-14-10(6-7)3-1-4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyGNLBTSUUPGNIPG-SFYZADRCSA-N
XLogP0.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid
CID 113440466
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79921401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid (CID 97050508) is (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid is N[C@H](C(=O)O)[C@@H]1CCOC2(CCC2)C1.
What is the InChIKey of (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid?
The InChIKey is GNLBTSUUPGNIPG-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO3/c11-8(9(12)13)7-2-5-14-10(6-7)3-1-4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid?
(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid is sourced from PubChem (CID 97050508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).