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

C14H23NO3 — CID 102899120

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H23NO3/c16-13(17)12-4-3-9-15(12)10-11-5-8-14(18-11)6-1-2-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyJFSYUVAHHYSRJC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.03
Rot. Bonds3

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

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 102899120) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID102899120
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H23NO3/c16-13(17)12-4-3-9-15(12)10-11-5-8-14(18-11)6-1-2-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyJFSYUVAHHYSRJC-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
CID 178086649
tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
CID 178086712
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
CID 178086894
2-Methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
CID 65161676
1-[3-(Oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
CID 65161719
Methyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate
CID 65212873
Ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate
CID 65212983
Ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate
CID 65214071
1-(6-Oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
CID 79893813
2-Methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
CID 79893834
Methyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate
CID 79919280
2-Methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82840422

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 102899120) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JFSYUVAHHYSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(17)12-4-3-9-15(12)10-11-5-8-14(18-11)6-1-2-7-14/h11-12H,1-10H2,(H,16,17).
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102899120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).