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

C14H16N4O3 — CID 60827601

IUPAC2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCn1cccc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H16N4O3/c1-18-7-2-4-10(18)11(19)17-14(5-3-6-14)13-15-8-9(16-13)12(20)21/h2,4,7-8H,3,5-6H2,1H3,(H,15,16)(H,17,19)(H,20,21)
InChIKeyYRXVNONYYBPULI-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.26
Rot. Bonds4

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

2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 60827601) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID60827601
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCn1cccc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H16N4O3/c1-18-7-2-4-10(18)11(19)17-14(5-3-6-14)13-15-8-9(16-13)12(20)21/h2,4,7-8H,3,5-6H2,1H3,(H,15,16)(H,17,19)(H,20,21)
InChIKeyYRXVNONYYBPULI-UHFFFAOYSA-N
XLogP1.26
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829408
N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 110467073
2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61183362
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 61146796
2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60828908
2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 103018340
2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197671
2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61270501
2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197046
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61169033
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61359725

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 60827601) is 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is Cn1cccc1C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is YRXVNONYYBPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-18-7-2-4-10(18)11(19)17-14(5-3-6-14)13-15-8-9(16-13)12(20)21/h2,4,7-8H,3,5-6H2,1H3,(H,15,16)(H,17,19)(H,20,21).
What are the key properties of 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 60827601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).