2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C13H19N3O4 — CID 107937794

IUPAC2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCCCOCC(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C13H19N3O4/c1-2-6-20-8-10(17)16-13(4-3-5-13)12-14-7-9(15-12)11(18)19/h7H,2-6,8H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyGOUQDWRTMJELQR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.03
Rot. Bonds7

About 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 107937794) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID107937794
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCCCOCC(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C13H19N3O4/c1-2-6-20-8-10(17)16-13(4-3-5-13)12-14-7-9(15-12)11(18)19/h7H,2-6,8H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyGOUQDWRTMJELQR-UHFFFAOYSA-N
XLogP1.03
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.03
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-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 103018340
2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60828908
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61183362
2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829408
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61169033
2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197046
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 61146796
2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197671
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61359725
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
CID 103881092
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 79815144

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 107937794) is 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is CCCOCC(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is GOUQDWRTMJELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-6-20-8-10(17)16-13(4-3-5-13)12-14-7-9(15-12)11(18)19/h7H,2-6,8H2,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 107937794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).