2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid

C8H16N4O5 — CID 140548137

IUPAC2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid
SMILESNCC(=O)NC(O)(NC1CNCCO1)C(=O)O
InChIInChI=1S/C8H16N4O5/c9-3-5(13)11-8(16,7(14)15)12-6-4-10-1-2-17-6/h6,10,12,16H,1-4,9H2,(H,11,13)(H,14,15)
InChIKeyWQAMNOKLAHMLKL-UHFFFAOYSA-N
MW248.24 g/mol
LogP-3.67
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid

2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid (PubChem CID 140548137) has the molecular formula C8H16N4O5 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid
PubChem CID140548137
Molecular FormulaC8H16N4O5
Molecular Weight248.24 g/mol
Exact Mass248.11
IUPAC Name2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid
SMILESNCC(=O)NC(O)(NC1CNCCO1)C(=O)O
InChIInChI=1S/C8H16N4O5/c9-3-5(13)11-8(16,7(14)15)12-6-4-10-1-2-17-6/h6,10,12,16H,1-4,9H2,(H,11,13)(H,14,15)
InChIKeyWQAMNOKLAHMLKL-UHFFFAOYSA-N
XLogP-3.67
TPSA145.94 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.24
LogP ≤ 5-3.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid (CID 140548137) is 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid is NCC(=O)NC(O)(NC1CNCCO1)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid?
The InChIKey is WQAMNOKLAHMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O5/c9-3-5(13)11-8(16,7(14)15)12-6-4-10-1-2-17-6/h6,10,12,16H,1-4,9H2,(H,11,13)(H,14,15).
What are the key properties of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid?
2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid has a molecular weight of 248.24 g/mol, XLogP of -3.67, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-(morpholin-2-ylamino)acetic acid is sourced from PubChem (CID 140548137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).