(3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid

C14H25NO3 — CID 130195906

IUPAC(3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid
SMILESCO[C@@]1(C(=O)O)CN(C2CCCCCC2)C[C@H]1C
InChIInChI=1S/C14H25NO3/c1-11-9-15(10-14(11,18-2)13(16)17)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyFGBBXNMXQMZOAR-RISCZKNCSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds3

About (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid

(3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 130195906) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid
PubChem CID130195906
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid
SMILESCO[C@@]1(C(=O)O)CN(C2CCCCCC2)C[C@H]1C
InChIInChI=1S/C14H25NO3/c1-11-9-15(10-14(11,18-2)13(16)17)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyFGBBXNMXQMZOAR-RISCZKNCSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 118551204
(3R,4R)-1-(4-ethoxycyclohexyl)-3-methoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 130195756
(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 155019917
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
(3R,4R)-3-ethoxy-1-(4-methoxycyclohexyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 118551205
3-(3,3-dimethoxyazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695707
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
1-cyclodecyl-3-methylazetidine
CID 155016918
3-amino-1-cycloheptylpiperidine-3-carboxylic acid
CID 117011831
(3aS,6aS)-2-cyclohexyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133134752
1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide
CID 175830192
methyl (3R,4R)-1-cyclohexyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 130187181

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid (CID 130195906) is (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid is CO[C@@]1(C(=O)O)CN(C2CCCCCC2)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FGBBXNMXQMZOAR-RISCZKNCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-9-15(10-14(11,18-2)13(16)17)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,16,17)/t11-,14+/m1/s1.
What are the key properties of (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 255.36 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 (3R,4R)-1-cycloheptyl-3-methoxy-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 130195906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).