(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid

C10H17NO2 — CID 59493460

IUPAC(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESCC(C)C1C[C@@]12CN[C@H](C(=O)O)C2
InChIInChI=1S/C10H17NO2/c1-6(2)7-3-10(7)4-8(9(12)13)11-5-10/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t7?,8-,10+/m0/s1
InChIKeyQAWMSSQYMYUIMW-DXEWVWIPSA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds2

About (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid

(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 59493460) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID59493460
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESCC(C)C1C[C@@]12CN[C@H](C(=O)O)C2
InChIInChI=1S/C10H17NO2/c1-6(2)7-3-10(7)4-8(9(12)13)11-5-10/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t7?,8-,10+/m0/s1
InChIKeyQAWMSSQYMYUIMW-DXEWVWIPSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 59493460) is (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid is CC(C)C1C[C@@]12CN[C@H](C(=O)O)C2.
What is the InChIKey of (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is QAWMSSQYMYUIMW-DXEWVWIPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)7-3-10(7)4-8(9(12)13)11-5-10/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t7?,8-,10+/m0/s1.
What are the key properties of (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid?
(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 59493460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).