2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid

C11H20N2O4 — CID 107440629

IUPAC2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
SMILESNC(=O)CN(CCCC1CCCO1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c12-10(14)7-13(8-11(15)16)5-1-3-9-4-2-6-17-9/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyDGACROFIRUDUMP-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.18
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid (PubChem CID 107440629) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
PubChem CID107440629
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
SMILESNC(=O)CN(CCCC1CCCO1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c12-10(14)7-13(8-11(15)16)5-1-3-9-4-2-6-17-9/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyDGACROFIRUDUMP-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
CID 126603056
2-[3-(oxolan-2-yl)propyl-piperidin-4-ylamino]acetamide
CID 65162373
5-(oxolan-2-yl)pentanamide
CID 67128385
2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 65161725
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
CID 65166215
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
7-(oxolan-2-yl)heptanoic acid
CID 174977398
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid (CID 107440629) is 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid is NC(=O)CN(CCCC1CCCO1)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid?
The InChIKey is DGACROFIRUDUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c12-10(14)7-13(8-11(15)16)5-1-3-9-4-2-6-17-9/h9H,1-8H2,(H2,12,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid is sourced from PubChem (CID 107440629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).