2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 113361141

IUPAC2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN1CCOC(CNC(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-15-5-6-19-9(8-15)7-14-12(16)10-3-2-4-11(10)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyBAEOZQKMPYHTAG-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.07
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 113361141) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID113361141
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN1CCOC(CNC(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-15-5-6-19-9(8-15)7-14-12(16)10-3-2-4-11(10)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyBAEOZQKMPYHTAG-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071178
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 79082476
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperidine-3-carboxamide
CID 79071217
3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79070990
1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 79070971

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 113361141) is 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CN1CCOC(CNC(=O)C2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BAEOZQKMPYHTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-15-5-6-19-9(8-15)7-14-12(16)10-3-2-4-11(10)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113361141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).