2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid

C12H17N3O4 — CID 79464389

IUPAC2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCCc1ccncc1
InChIInChI=1S/C12H17N3O4/c16-11(17)9-19-8-7-15-12(18)14-6-3-10-1-4-13-5-2-10/h1-2,4-5H,3,6-9H2,(H,16,17)(H2,14,15,18)
InChIKeyVSVMOGMTUFQNIM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.02
Rot. Bonds8

About 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid

2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79464389) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
PubChem CID79464389
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCCc1ccncc1
InChIInChI=1S/C12H17N3O4/c16-11(17)9-19-8-7-15-12(18)14-6-3-10-1-4-13-5-2-10/h1-2,4-5H,3,6-9H2,(H,16,17)(H2,14,15,18)
InChIKeyVSVMOGMTUFQNIM-UHFFFAOYSA-N
XLogP0.02
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 106109788
(2S)-2-hydroxy-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 107838621
3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463732
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463849
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656
3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 66001214
2-(pyridin-4-ylmethoxy)ethylcarbamic acid
CID 69184657
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79463522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid (CID 79464389) is 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)NCCc1ccncc1.
What is the InChIKey of 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is VSVMOGMTUFQNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-11(17)9-19-8-7-15-12(18)14-6-3-10-1-4-13-5-2-10/h1-2,4-5H,3,6-9H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid?
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79464389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).