2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid

C15H16N4O3 — CID 68895407

IUPAC2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid
SMILESNc1ncc(-c2cccc(NC(=O)C3CCC3)c2)n1C(=O)O
InChIInChI=1S/C15H16N4O3/c16-14-17-8-12(19(14)15(21)22)10-5-2-6-11(7-10)18-13(20)9-3-1-4-9/h2,5-9H,1,3-4H2,(H2,16,17)(H,18,20)(H,21,22)
InChIKeyPOJVIOKPVCOJNX-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid

2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid (PubChem CID 68895407) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid
PubChem CID68895407
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid
SMILESNc1ncc(-c2cccc(NC(=O)C3CCC3)c2)n1C(=O)O
InChIInChI=1S/C15H16N4O3/c16-14-17-8-12(19(14)15(21)22)10-5-2-6-11(7-10)18-13(20)9-3-1-4-9/h2,5-9H,1,3-4H2,(H2,16,17)(H,18,20)(H,21,22)
InChIKeyPOJVIOKPVCOJNX-UHFFFAOYSA-N
XLogP2.40
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1440253
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
tert-butyl 2-amino-5-[3-[(2-benzyl-1,3-dioxole-4-carbonyl)amino]phenyl]imidazole-1-carboxylate
CID 68972964
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexanecarboxamide
CID 8960812
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]cyclopropanecarboxamide
CID 91664140
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid?
The IUPAC name of 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid (CID 68895407) is 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid?
The canonical SMILES for 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid is Nc1ncc(-c2cccc(NC(=O)C3CCC3)c2)n1C(=O)O.
What is the InChIKey of 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid?
The InChIKey is POJVIOKPVCOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-14-17-8-12(19(14)15(21)22)10-5-2-6-11(7-10)18-13(20)9-3-1-4-9/h2,5-9H,1,3-4H2,(H2,16,17)(H,18,20)(H,21,22).
What are the key properties of 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid?
2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 68895407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).