4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

C13H24N4O4 — CID 66241170

IUPAC4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCN1CCN(C)C(CNC(=O)NC2COCC2C(=O)O)C1
InChIInChI=1S/C13H24N4O4/c1-16-3-4-17(2)9(6-16)5-14-13(20)15-11-8-21-7-10(11)12(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyGZIPBPGVTHXVEG-UHFFFAOYSA-N
MW300.36 g/mol
LogP-1.37
Rot. Bonds4

About 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66241170) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66241170
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCN1CCN(C)C(CNC(=O)NC2COCC2C(=O)O)C1
InChIInChI=1S/C13H24N4O4/c1-16-3-4-17(2)9(6-16)5-14-13(20)15-11-8-21-7-10(11)12(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyGZIPBPGVTHXVEG-UHFFFAOYSA-N
XLogP-1.37
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea
CID 97212414
4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66239977
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
(2S)-2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 63898251
2-[[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65226816
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002437

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 66241170) is 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is CN1CCN(C)C(CNC(=O)NC2COCC2C(=O)O)C1.
What is the InChIKey of 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is GZIPBPGVTHXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-16-3-4-17(2)9(6-16)5-14-13(20)15-11-8-21-7-10(11)12(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).