1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid

C13H23NO3 — CID 62271993

IUPAC1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)COCCN1CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-12(2)10-17-8-7-14(12)9-13(11(15)16)5-3-4-6-13/h3-10H2,1-2H3,(H,15,16)
InChIKeyOWDVRUZMHJWPAV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds3

About 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid

1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 62271993) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID62271993
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)COCCN1CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-12(2)10-17-8-7-14(12)9-13(11(15)16)5-3-4-6-13/h3-10H2,1-2H3,(H,15,16)
InChIKeyOWDVRUZMHJWPAV-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,3-dimethylmorpholin-4-yl)methyl]oxane-3-carboxylic acid
CID 55242826
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid
CID 63746748
1-(3,3-dimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 82235402
4-(3,3-dimethylmorpholin-4-yl)but-2-enoic acid
CID 76940682
1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127056
N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62258958
1-[(3-ethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62272325
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 166279333
1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162950
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid (CID 62271993) is 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid is CC1(C)COCCN1CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OWDVRUZMHJWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)10-17-8-7-14(12)9-13(11(15)16)5-3-4-6-13/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62271993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).