4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid

C12H23N3O4 — CID 115293093

IUPAC4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
SMILESCC(CNC(=O)NC1(C(=O)O)CCOCC1)N(C)C
InChIInChI=1S/C12H23N3O4/c1-9(15(2)3)8-13-11(18)14-12(10(16)17)4-6-19-7-5-12/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyGGLMXUPTKZHAKU-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.13
Rot. Bonds5

About 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid

4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid (PubChem CID 115293093) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
PubChem CID115293093
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
SMILESCC(CNC(=O)NC1(C(=O)O)CCOCC1)N(C)C
InChIInChI=1S/C12H23N3O4/c1-9(15(2)3)8-13-11(18)14-12(10(16)17)4-6-19-7-5-12/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyGGLMXUPTKZHAKU-UHFFFAOYSA-N
XLogP-0.13
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid
CID 115293317
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293086
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
4-(6-methylheptan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 115292985
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid (CID 115293093) is 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid is CC(CNC(=O)NC1(C(=O)O)CCOCC1)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid?
The InChIKey is GGLMXUPTKZHAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-9(15(2)3)8-13-11(18)14-12(10(16)17)4-6-19-7-5-12/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid?
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).