2-[2-acetamidoethyl(hydroxymethyl)amino]acetate

C7H13N2O4- — CID 20708503

IUPAC2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
SMILESCC(=O)NCCN(CO)CC(=O)[O-]
InChIInChI=1S/C7H14N2O4/c1-6(11)8-2-3-9(5-10)4-7(12)13/h10H,2-5H2,1H3,(H,8,11)(H,12,13)/p-1
InChIKeyIMPXFPGPHJFRGW-UHFFFAOYSA-M
MW189.19 g/mol
LogP-2.88
Rot. Bonds6

About 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate

2-[2-acetamidoethyl(hydroxymethyl)amino]acetate (PubChem CID 20708503) has the molecular formula C7H13N2O4- and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate.

Molecular Properties

Compound Name2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
PubChem CID20708503
Molecular FormulaC7H13N2O4-
Molecular Weight189.19 g/mol
Exact Mass189.09
IUPAC Name2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
SMILESCC(=O)NCCN(CO)CC(=O)[O-]
InChIInChI=1S/C7H14N2O4/c1-6(11)8-2-3-9(5-10)4-7(12)13/h10H,2-5H2,1H3,(H,8,11)(H,12,13)/p-1
InChIKeyIMPXFPGPHJFRGW-UHFFFAOYSA-M
XLogP-2.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-2.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
CID 158747467
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
pentaazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;acetate
CID 18790990
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
CID 91527468
3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide
CID 142305680
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
tetrasodium;acetic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 172825795
N-[2-(diacetylamino)ethyl]acetamide
CID 536138
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464
N-[2-[iodomethyl(methyl)amino]ethyl]acetamide
CID 142973324

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate?
The IUPAC name of 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate (CID 20708503) is 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate.
What is the SMILES notation for 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate?
The canonical SMILES for 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate is CC(=O)NCCN(CO)CC(=O)[O-].
What is the InChIKey of 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate?
The InChIKey is IMPXFPGPHJFRGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N2O4/c1-6(11)8-2-3-9(5-10)4-7(12)13/h10H,2-5H2,1H3,(H,8,11)(H,12,13)/p-1.
What are the key properties of 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate?
2-[2-acetamidoethyl(hydroxymethyl)amino]acetate has a molecular weight of 189.19 g/mol, XLogP of -2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(hydroxymethyl)amino]acetate is sourced from PubChem (CID 20708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).