2-(3-morpholin-4-ylpropylamino)acetic acid

C9H18N2O3 — CID 19049866

IUPAC2-(3-morpholin-4-ylpropylamino)acetic acid
SMILESO=C(O)CNCCCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c12-9(13)8-10-2-1-3-11-4-6-14-7-5-11/h10H,1-8H2,(H,12,13)
InChIKeyHVDLKRKJEIXBPM-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylamino)acetic acid

2-(3-morpholin-4-ylpropylamino)acetic acid (PubChem CID 19049866) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)acetic acid
PubChem CID19049866
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(3-morpholin-4-ylpropylamino)acetic acid
SMILESO=C(O)CNCCCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c12-9(13)8-10-2-1-3-11-4-6-14-7-5-11/h10H,1-8H2,(H,12,13)
InChIKeyHVDLKRKJEIXBPM-UHFFFAOYSA-N
XLogP-0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)acetic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)acetic acid (CID 19049866) is 2-(3-morpholin-4-ylpropylamino)acetic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)acetic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)acetic acid is O=C(O)CNCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)acetic acid?
The InChIKey is HVDLKRKJEIXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-9(13)8-10-2-1-3-11-4-6-14-7-5-11/h10H,1-8H2,(H,12,13).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)acetic acid?
2-(3-morpholin-4-ylpropylamino)acetic acid has a molecular weight of 202.25 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)acetic acid is sourced from PubChem (CID 19049866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).