2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid

C11H14N4O5 — CID 107340802

IUPAC2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESNC(=O)OCCNC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C11H14N4O5/c12-10(18)20-4-3-13-11(19)15-8-2-1-7(14-6-8)5-9(16)17/h1-2,6H,3-5H2,(H2,12,18)(H,16,17)(H2,13,15,19)
InChIKeyADYBPIDOANZEIM-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.07
Rot. Bonds6

About 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid

2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107340802) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
PubChem CID107340802
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESNC(=O)OCCNC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C11H14N4O5/c12-10(18)20-4-3-13-11(19)15-8-2-1-7(14-6-8)5-9(16)17/h1-2,6H,3-5H2,(H2,12,18)(H,16,17)(H2,13,15,19)
InChIKeyADYBPIDOANZEIM-UHFFFAOYSA-N
XLogP-0.07
TPSA143.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-[5-(but-3-enylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340820
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340578
2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340628
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
CID 106295042
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid (CID 107340802) is 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid is NC(=O)OCCNC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is ADYBPIDOANZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c12-10(18)20-4-3-13-11(19)15-8-2-1-7(14-6-8)5-9(16)17/h1-2,6H,3-5H2,(H2,12,18)(H,16,17)(H2,13,15,19).
What are the key properties of 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).