2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid

C6H14N2O4 — CID 174189370

IUPAC2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
SMILESCN(O)CCOCCNC(=O)O
InChIInChI=1S/C6H14N2O4/c1-8(11)3-5-12-4-2-7-6(9)10/h7,11H,2-5H2,1H3,(H,9,10)
InChIKeyBIBZDONUGKAITE-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.41
Rot. Bonds6

About 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid

2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid (PubChem CID 174189370) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
PubChem CID174189370
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
SMILESCN(O)CCOCCNC(=O)O
InChIInChI=1S/C6H14N2O4/c1-8(11)3-5-12-4-2-7-6(9)10/h7,11H,2-5H2,1H3,(H,9,10)
InChIKeyBIBZDONUGKAITE-UHFFFAOYSA-N
XLogP-0.41
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid
CID 155391905
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
2-(2-hexoxyethoxy)ethylcarbamic acid
CID 90014207
2-[2-[2-[3-[2-[hexadecanoyl(methyl)amino]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174207545
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methoxyacetamide
CID 103939815
3-[2-[2-[3-(carboxyamino)propoxycarbonylamino]ethoxy]ethylcarbamoyloxy]propylcarbamic acid
CID 19751998
1-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 114127451

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid (CID 174189370) is 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid is CN(O)CCOCCNC(=O)O.
What is the InChIKey of 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid?
The InChIKey is BIBZDONUGKAITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c1-8(11)3-5-12-4-2-7-6(9)10/h7,11H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid?
2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid has a molecular weight of 178.19 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 174189370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).