2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid

C11H15N3O4 — CID 79463656

IUPAC2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
SMILESCc1ccncc1NC(=O)NCCOCC(=O)O
InChIInChI=1S/C11H15N3O4/c1-8-2-3-12-6-9(8)14-11(17)13-4-5-18-7-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyGGYCKQAUNPFRQX-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.61
Rot. Bonds6

About 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463656) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463656
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
SMILESCc1ccncc1NC(=O)NCCOCC(=O)O
InChIInChI=1S/C11H15N3O4/c1-8-2-3-12-6-9(8)14-11(17)13-4-5-18-7-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyGGYCKQAUNPFRQX-UHFFFAOYSA-N
XLogP0.61
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.61
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

1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
2-(2-aminoethoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 79478693
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463433
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid (CID 79463656) is 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid is Cc1ccncc1NC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is GGYCKQAUNPFRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-2-3-12-6-9(8)14-11(17)13-4-5-18-7-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).