5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid

C10H18N2O4 — CID 103237545

IUPAC5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCN(C)C(=O)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C10H18N2O4/c1-12(2)9(13)6-11-5-7-3-4-8(16-7)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyLJHXIJDZMIKFFD-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds5

About 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid

5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103237545) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID103237545
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCN(C)C(=O)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C10H18N2O4/c1-12(2)9(13)6-11-5-7-3-4-8(16-7)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyLJHXIJDZMIKFFD-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
5-[[(4-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103234012
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]oxolane-2-carboxylic acid
CID 106149085
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
5-[(3-cyclopropylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103267996
5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
CID 103268448
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid (CID 103237545) is 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid is CN(C)C(=O)CNCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is LJHXIJDZMIKFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(2)9(13)6-11-5-7-3-4-8(16-7)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103237545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).