ethane;methyl 2-(2-hydroxyethylamino)acetate

C7H17NO3 — CID 178001522

IUPACethane;methyl 2-(2-hydroxyethylamino)acetate
SMILESCC.COC(=O)CNCCO
InChIInChI=1S/C5H11NO3.C2H6/c1-9-5(8)4-6-2-3-7;1-2/h6-7H,2-4H2,1H3;1-2H3
InChIKeyKEBJDONOOYSXKJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.23
Rot. Bonds4

About ethane;methyl 2-(2-hydroxyethylamino)acetate

ethane;methyl 2-(2-hydroxyethylamino)acetate (PubChem CID 178001522) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;methyl 2-(2-hydroxyethylamino)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(2-hydroxyethylamino)acetate
PubChem CID178001522
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Nameethane;methyl 2-(2-hydroxyethylamino)acetate
SMILESCC.COC(=O)CNCCO
InChIInChI=1S/C5H11NO3.C2H6/c1-9-5(8)4-6-2-3-7;1-2/h6-7H,2-4H2,1H3;1-2H3
InChIKeyKEBJDONOOYSXKJ-UHFFFAOYSA-N
XLogP-0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten
CID 169191964
methyl 2-[(3-hydroxy-3-methylbutyl)amino]acetate
CID 79360422
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 23196993
methyl 2-(2-iodopropylamino)acetate
CID 163571817
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
methyl 2-(2-propylsulfonylethylamino)acetate
CID 106722896
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-hydroxyethylamino)acetate?
The IUPAC name of ethane;methyl 2-(2-hydroxyethylamino)acetate (CID 178001522) is ethane;methyl 2-(2-hydroxyethylamino)acetate.
What is the SMILES notation for ethane;methyl 2-(2-hydroxyethylamino)acetate?
The canonical SMILES for ethane;methyl 2-(2-hydroxyethylamino)acetate is CC.COC(=O)CNCCO.
What is the InChIKey of ethane;methyl 2-(2-hydroxyethylamino)acetate?
The InChIKey is KEBJDONOOYSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C2H6/c1-9-5(8)4-6-2-3-7;1-2/h6-7H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-(2-hydroxyethylamino)acetate?
ethane;methyl 2-(2-hydroxyethylamino)acetate has a molecular weight of 163.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-hydroxyethylamino)acetate is sourced from PubChem (CID 178001522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).