2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid

C15H25NO3 — CID 102899249

IUPAC2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO3/c1-11-13(14(17)18)5-9-16(11)10-12-4-8-15(19-12)6-2-3-7-15/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyHFQAEGDNJVUQRX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 102899249) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID102899249
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO3/c1-11-13(14(17)18)5-9-16(11)10-12-4-8-15(19-12)6-2-3-7-15/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyHFQAEGDNJVUQRX-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 114086267
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
CID 102899176
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102899450
[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898456
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898704
2-methyl-1-(oxan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 79382765
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 102899249) is 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HFQAEGDNJVUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-13(14(17)18)5-9-16(11)10-12-4-8-15(19-12)6-2-3-7-15/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102899249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).