2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid

C12H19NO4 — CID 166272414

IUPAC2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid
SMILESCOC(=O)NC1CC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H19NO4/c1-17-11(16)13-9-6-12(7-9)4-2-8(3-5-12)10(14)15/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyJIWYZIOHHVJZPS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.77
Rot. Bonds2

About 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid

2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid (PubChem CID 166272414) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid
PubChem CID166272414
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid
SMILESCOC(=O)NC1CC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H19NO4/c1-17-11(16)13-9-6-12(7-9)4-2-8(3-5-12)10(14)15/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyJIWYZIOHHVJZPS-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid (CID 166272414) is 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid is COC(=O)NC1CC2(CCC(C(=O)O)CC2)C1.
What is the InChIKey of 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid?
The InChIKey is JIWYZIOHHVJZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-17-11(16)13-9-6-12(7-9)4-2-8(3-5-12)10(14)15/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid?
2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 166272414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).