5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid

C11H20N2O4 — CID 103239200

IUPAC5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)NC(=O)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H20N2O4/c1-7(2)13-10(14)6-12-5-8-3-4-9(17-8)11(15)16/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySOWVTZPGVDYPBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.27
Rot. Bonds6

About 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid

5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103239200) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID103239200
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)NC(=O)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H20N2O4/c1-7(2)13-10(14)6-12-5-8-3-4-9(17-8)11(15)16/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySOWVTZPGVDYPBD-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 62298899
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
CID 103268448
5-[[2-(3-methylcyclohexyl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103252796

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid (CID 103239200) is 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid is CC(C)NC(=O)CNCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is SOWVTZPGVDYPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)13-10(14)6-12-5-8-3-4-9(17-8)11(15)16/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103239200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).