2-(methylamino)acetic acid;morpholine-4-carboxamide

C8H17N3O4 — CID 69170925

IUPAC2-(methylamino)acetic acid;morpholine-4-carboxamide
SMILESCNCC(=O)O.NC(=O)N1CCOCC1
InChIInChI=1S/C5H10N2O2.C3H7NO2/c6-5(8)7-1-3-9-4-2-7;1-4-2-3(5)6/h1-4H2,(H2,6,8);4H,2H2,1H3,(H,5,6)
InChIKeyFMYYQTOHPQUCAZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.31
Rot. Bonds2

About 2-(methylamino)acetic acid;morpholine-4-carboxamide

2-(methylamino)acetic acid;morpholine-4-carboxamide (PubChem CID 69170925) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(methylamino)acetic acid;morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)acetic acid;morpholine-4-carboxamide
PubChem CID69170925
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name2-(methylamino)acetic acid;morpholine-4-carboxamide
SMILESCNCC(=O)O.NC(=O)N1CCOCC1
InChIInChI=1S/C5H10N2O2.C3H7NO2/c6-5(8)7-1-3-9-4-2-7;1-4-2-3(5)6/h1-4H2,(H2,6,8);4H,2H2,1H3,(H,5,6)
InChIKeyFMYYQTOHPQUCAZ-UHFFFAOYSA-N
XLogP-1.31
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetic acid;morpholine-4-carboxamide?
The IUPAC name of 2-(methylamino)acetic acid;morpholine-4-carboxamide (CID 69170925) is 2-(methylamino)acetic acid;morpholine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)acetic acid;morpholine-4-carboxamide?
The canonical SMILES for 2-(methylamino)acetic acid;morpholine-4-carboxamide is CNCC(=O)O.NC(=O)N1CCOCC1.
What is the InChIKey of 2-(methylamino)acetic acid;morpholine-4-carboxamide?
The InChIKey is FMYYQTOHPQUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.C3H7NO2/c6-5(8)7-1-3-9-4-2-7;1-4-2-3(5)6/h1-4H2,(H2,6,8);4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methylamino)acetic acid;morpholine-4-carboxamide?
2-(methylamino)acetic acid;morpholine-4-carboxamide has a molecular weight of 219.24 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetic acid;morpholine-4-carboxamide is sourced from PubChem (CID 69170925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).