2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid

C10H18N4O3 — CID 11736642

IUPAC2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid
SMILESCC(C)N1C[C@@H](CN=[N+]=[N-])O[C@@H](CC(=O)O)C1
InChIInChI=1S/C10H18N4O3/c1-7(2)14-5-8(3-10(15)16)17-9(6-14)4-12-13-11/h7-9H,3-6H2,1-2H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyYYZOEAXQKSIBDX-DTWKUNHWSA-N
MW242.28 g/mol
LogP1.25
Rot. Bonds5

About 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid

2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid (PubChem CID 11736642) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid
PubChem CID11736642
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid
SMILESCC(C)N1C[C@@H](CN=[N+]=[N-])O[C@@H](CC(=O)O)C1
InChIInChI=1S/C10H18N4O3/c1-7(2)14-5-8(3-10(15)16)17-9(6-14)4-12-13-11/h7-9H,3-6H2,1-2H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyYYZOEAXQKSIBDX-DTWKUNHWSA-N
XLogP1.25
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid (CID 11736642) is 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid is CC(C)N1C[C@@H](CN=[N+]=[N-])O[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid?
The InChIKey is YYZOEAXQKSIBDX-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)14-5-8(3-10(15)16)17-9(6-14)4-12-13-11/h7-9H,3-6H2,1-2H3,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid?
2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid is sourced from PubChem (CID 11736642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).