2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid

C12H17N3O5 — CID 79463849

IUPAC2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
SMILESCOc1cc(CNC(=O)NCCOCC(=O)O)ccn1
InChIInChI=1S/C12H17N3O5/c1-19-10-6-9(2-3-13-10)7-15-12(18)14-4-5-20-8-11(16)17/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyNSZKVCFSNVPVGV-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.01
Rot. Bonds8

About 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid

2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid (PubChem CID 79463849) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
PubChem CID79463849
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
SMILESCOc1cc(CNC(=O)NCCOCC(=O)O)ccn1
InChIInChI=1S/C12H17N3O5/c1-19-10-6-9(2-3-13-10)7-15-12(18)14-4-5-20-8-11(16)17/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyNSZKVCFSNVPVGV-UHFFFAOYSA-N
XLogP-0.01
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86995214
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446789
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
(E)-4-[(2-methoxy-4-pyridinyl)methylamino]-4-oxobut-2-enoic acid
CID 55141133
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid (CID 79463849) is 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid is COc1cc(CNC(=O)NCCOCC(=O)O)ccn1.
What is the InChIKey of 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid?
The InChIKey is NSZKVCFSNVPVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-19-10-6-9(2-3-13-10)7-15-12(18)14-4-5-20-8-11(16)17/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid?
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 283.28 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).