N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid

C9H17N3O6 — CID 46856355

IUPACN-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid
SMILESNCCNC(=O)N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C7H15N3O2.C2H2O4/c8-1-2-9-7(11)10-3-5-12-6-4-10;3-1(4)2(5)6/h1-6,8H2,(H,9,11);(H,3,4)(H,5,6)
InChIKeyFMVSRINQKOORMK-UHFFFAOYSA-N
MW263.25 g/mol
LogP-1.86
Rot. Bonds2

About N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid

N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid (PubChem CID 46856355) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid
PubChem CID46856355
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC NameN-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid
SMILESNCCNC(=O)N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C7H15N3O2.C2H2O4/c8-1-2-9-7(11)10-3-5-12-6-4-10;3-1(4)2(5)6/h1-6,8H2,(H,9,11);(H,3,4)(H,5,6)
InChIKeyFMVSRINQKOORMK-UHFFFAOYSA-N
XLogP-1.86
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67765031
2-[2-[[4-(2,2,2-Trifluoroethyl)piperazine-1-carbonyl]amino]ethoxy]acetic acid
CID 79464372
Morpholine-4-carboxamide;oxalic acid
CID 21425360
Ethyl 2-(2-morpholin-4-ylethylcarbamoylamino)acetate
CID 43385049
2-[2-(Morpholine-4-carbonylamino)ethylamino]oxy-2-oxoacetic acid
CID 89925386
2-[2-[2-(2-Piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid
CID 90281064
2-(Morpholine-4-carbonylamino)ethylcarbamic acid
CID 118326361
Amino 2-[(2-aminoacetyl)amino]-2-hydroxy-2-morpholin-4-ylacetate
CID 140349547
2-[(2-Aminoacetyl)amino]-2-hydroxy-2-morpholin-4-ylacetic acid
CID 140349549
2-[(2-Aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid
CID 140548137
2-[2-(Carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid
CID 143257623
Formamide;2-morpholin-4-ylethanamine;oxalic acid
CID 158703025

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid?
The IUPAC name of N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid (CID 46856355) is N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid?
The canonical SMILES for N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid is NCCNC(=O)N1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid?
The InChIKey is FMVSRINQKOORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C2H2O4/c8-1-2-9-7(11)10-3-5-12-6-4-10;3-1(4)2(5)6/h1-6,8H2,(H,9,11);(H,3,4)(H,5,6).
What are the key properties of N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid?
N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid has a molecular weight of 263.25 g/mol, XLogP of -1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid is sourced from PubChem (CID 46856355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).