4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid

C13H22N2O4 — CID 107419874

IUPAC4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
SMILESCC1CCCC1CNC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9-3-2-4-10(9)7-14-13(18)15-5-6-19-11(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyHKBRSOFVDKAFLG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds3

About 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid

4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 107419874) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID107419874
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
SMILESCC1CCCC1CNC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9-3-2-4-10(9)7-14-13(18)15-5-6-19-11(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyHKBRSOFVDKAFLG-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylcyclopentyl)methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 107420016
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012720
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
4-(2-methylcyclopentyl)morpholine-2-carboxylic acid
CID 65067428
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525234
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
4-[(2-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 62088277
4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 106374354

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid (CID 107419874) is 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid is CC1CCCC1CNC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is HKBRSOFVDKAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-3-2-4-10(9)7-14-13(18)15-5-6-19-11(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid?
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 107419874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).