2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid

C10H15N3O4 — CID 114411753

IUPAC2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)N1CC=CCC1
InChIInChI=1S/C10H15N3O4/c14-8(11-7-9(15)16)6-12-10(17)13-4-2-1-3-5-13/h1-2H,3-7H2,(H,11,14)(H,12,17)(H,15,16)
InChIKeyBCMUWILPXBWJFH-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.84
Rot. Bonds4

About 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid

2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid (PubChem CID 114411753) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
PubChem CID114411753
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)N1CC=CCC1
InChIInChI=1S/C10H15N3O4/c14-8(11-7-9(15)16)6-12-10(17)13-4-2-1-3-5-13/h1-2H,3-7H2,(H,11,14)(H,12,17)(H,15,16)
InChIKeyBCMUWILPXBWJFH-UHFFFAOYSA-N
XLogP-0.84
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid (CID 114411753) is 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)N1CC=CCC1.
What is the InChIKey of 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is BCMUWILPXBWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-8(11-7-9(15)16)6-12-10(17)13-4-2-1-3-5-13/h1-2H,3-7H2,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid?
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 114411753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).