4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid

C12H23N3O4 — CID 66240170

IUPAC4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCN(C)CCCCNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H23N3O4/c1-15(2)6-4-3-5-13-12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyQKDOPRMJJYCGRK-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.27
Rot. Bonds7

About 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid

4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66240170) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66240170
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCN(C)CCCCNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H23N3O4/c1-15(2)6-4-3-5-13-12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyQKDOPRMJJYCGRK-UHFFFAOYSA-N
XLogP-0.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66239977
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
3-[4-(dimethylamino)butylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63044112
4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240776
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238975

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid (CID 66240170) is 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid is CN(C)CCCCNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is QKDOPRMJJYCGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-15(2)6-4-3-5-13-12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid?
4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).