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

C9H16N2O4 — CID 62298720

IUPAC5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCN(CC(N)=O)CC1CCC(C(=O)O)O1
InChIInChI=1S/C9H16N2O4/c1-11(5-8(10)12)4-6-2-3-7(15-6)9(13)14/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyDJWSYOBWNZLPQG-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.96
Rot. Bonds5

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

5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 62298720) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID62298720
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCN(CC(N)=O)CC1CCC(C(=O)O)O1
InChIInChI=1S/C9H16N2O4/c1-11(5-8(10)12)4-6-2-3-7(15-6)9(13)14/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyDJWSYOBWNZLPQG-UHFFFAOYSA-N
XLogP-0.96
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 62298899
5-[[(2-amino-2-oxoethyl)-butylamino]methyl]oxolane-2-carboxylic acid
CID 62299250
5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
CID 55053936
5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 55053708
2-[methyl(morpholin-2-ylmethyl)amino]acetamide
CID 64533243
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62299610
5-(sulfanylmethyl)oxolane-2-carboxylic acid
CID 62298704
5-[[methyl(thiolan-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 62298718
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62300641
5-[[butan-2-yl(ethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298545
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]oxolane-2-carboxylic acid
CID 63223023
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid (CID 62298720) is 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid is CN(CC(N)=O)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is DJWSYOBWNZLPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-11(5-8(10)12)4-6-2-3-7(15-6)9(13)14/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid?
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62298720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).