N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide

C9H17N3O4 — CID 81206421

IUPACN-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide
SMILESNCCNC(=O)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H17N3O4/c10-1-2-11-8(14)9(15)12-3-4-16-7(5-12)6-13/h7,13H,1-6,10H2,(H,11,14)
InChIKeyZMELPZYOEVFOAY-UHFFFAOYSA-N
MW231.25 g/mol
LogP-2.72
Rot. Bonds3

About N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide

N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide (PubChem CID 81206421) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide
PubChem CID81206421
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide
SMILESNCCNC(=O)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H17N3O4/c10-1-2-11-8(14)9(15)12-3-4-16-7(5-12)6-13/h7,13H,1-6,10H2,(H,11,14)
InChIKeyZMELPZYOEVFOAY-UHFFFAOYSA-N
XLogP-2.72
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936
6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
CID 81204003
7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
CID 81203461
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203715
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81209419
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide (CID 81206421) is N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide is NCCNC(=O)C(=O)N1CCOC(CO)C1.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide?
The InChIKey is ZMELPZYOEVFOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c10-1-2-11-8(14)9(15)12-3-4-16-7(5-12)6-13/h7,13H,1-6,10H2,(H,11,14).
What are the key properties of N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide?
N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide has a molecular weight of 231.25 g/mol, XLogP of -2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide is sourced from PubChem (CID 81206421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).