4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid

C11H18N2O4 — CID 115292842

IUPAC4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOCC1)C1CC1
InChIInChI=1S/C11H18N2O4/c1-13(8-2-3-8)10(16)12-11(9(14)15)4-6-17-7-5-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyXPUVXXCMFJVDMF-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.42
Rot. Bonds3

About 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115292842) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115292842
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOCC1)C1CC1
InChIInChI=1S/C11H18N2O4/c1-13(8-2-3-8)10(16)12-11(9(14)15)4-6-17-7-5-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyXPUVXXCMFJVDMF-UHFFFAOYSA-N
XLogP0.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115292903
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293279
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62547368
1-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451281
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892270

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid (CID 115292842) is 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCOCC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is XPUVXXCMFJVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(8-2-3-8)10(16)12-11(9(14)15)4-6-17-7-5-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).