(5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide

C12H14N4O2 — CID 143813349

IUPAC(5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide
SMILESNc1ccc(NC(=O)N2CC[C@H]3NC(=O)C32)cc1
InChIInChI=1S/C12H14N4O2/c13-7-1-3-8(4-2-7)14-12(18)16-6-5-9-10(16)11(17)15-9/h1-4,9-10H,5-6,13H2,(H,14,18)(H,15,17)/t9-,10?/m1/s1
InChIKeyFDVXMKQYFSRHJY-YHMJZVADSA-N
MW246.27 g/mol
LogP0.37
Rot. Bonds1

About (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide

(5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 143813349) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID143813349
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide
SMILESNc1ccc(NC(=O)N2CC[C@H]3NC(=O)C32)cc1
InChIInChI=1S/C12H14N4O2/c13-7-1-3-8(4-2-7)14-12(18)16-6-5-9-10(16)11(17)15-9/h1-4,9-10H,5-6,13H2,(H,14,18)(H,15,17)/t9-,10?/m1/s1
InChIKeyFDVXMKQYFSRHJY-YHMJZVADSA-N
XLogP0.37
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

sodium;(1S,5R)-2-[(4-aminophenyl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride
CID 173071027
2-chloro-N-[4-[3-oxo-3-(7-oxo-2,6-diazabicyclo[3.2.0]heptan-2-yl)prop-1-enyl]phenyl]acetamide
CID 70016294
benzyl (1S,5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 10658069
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
N-(4-aminophenyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 62967404
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide (CID 143813349) is (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide is Nc1ccc(NC(=O)N2CC[C@H]3NC(=O)C32)cc1.
What is the InChIKey of (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is FDVXMKQYFSRHJY-YHMJZVADSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-1-3-8(4-2-7)14-12(18)16-6-5-9-10(16)11(17)15-9/h1-4,9-10H,5-6,13H2,(H,14,18)(H,15,17)/t9-,10?/m1/s1.
What are the key properties of (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide?
(5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-aminophenyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 143813349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).