(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid

C15H25NO3 — CID 114086267

IUPAC(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(CC2CCC3(CCCC3)O2)C[C@H]1C(=O)O
InChIInChI=1S/C15H25NO3/c1-11-8-16(10-13(11)14(17)18)9-12-4-7-15(19-12)5-2-3-6-15/h11-13H,2-10H2,1H3,(H,17,18)/t11-,12?,13-/m1/s1
InChIKeyLFCGUMOKYPMWBJ-LKOMHFJYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds3

About (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid

(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 114086267) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID114086267
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(CC2CCC3(CCCC3)O2)C[C@H]1C(=O)O
InChIInChI=1S/C15H25NO3/c1-11-8-16(10-13(11)14(17)18)9-12-4-7-15(19-12)5-2-3-6-15/h11-13H,2-10H2,1H3,(H,17,18)/t11-,12?,13-/m1/s1
InChIKeyLFCGUMOKYPMWBJ-LKOMHFJYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
4-methyl-1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63721061
1-(cyclobutylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65459238
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107324451
(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine
CID 124829482

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 114086267) is (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid is C[C@@H]1CN(CC2CCC3(CCCC3)O2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LFCGUMOKYPMWBJ-LKOMHFJYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-8-16(10-13(11)14(17)18)9-12-4-7-15(19-12)5-2-3-6-15/h11-13H,2-10H2,1H3,(H,17,18)/t11-,12?,13-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114086267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).