4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid

C13H22N2O4 — CID 113364388

IUPAC4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
SMILESCCCC1(CNC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-2-3-13(4-5-13)9-14-12(18)15-6-7-19-8-10(15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyBWHBQPKSDXQMIC-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds5

About 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid

4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid (PubChem CID 113364388) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
PubChem CID113364388
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
SMILESCCCC1(CNC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-2-3-13(4-5-13)9-14-12(18)15-6-7-19-8-10(15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyBWHBQPKSDXQMIC-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
CID 103995566
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-methyl-N-[(1-propylcyclopropyl)methyl]piperidine-1-carboxamide
CID 113257177
4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114101481
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
CID 106097979

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid (CID 113364388) is 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid is CCCC1(CNC(=O)N2CCOCC2C(=O)O)CC1.
What is the InChIKey of 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
The InChIKey is BWHBQPKSDXQMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-3-13(4-5-13)9-14-12(18)15-6-7-19-8-10(15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 113364388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).